oxazolam - Compound Summary (CID 62779)
RN given refers to cpd without isomeric designation
  Table of Contents
 Drug and Chemical Information: (Total:1)
 BioActivity Results:
Tested in BioAssays: All: 1 Active: 1
BioActivity Summary: This Compound with Similar Compounds
AID: 1195 Source: EPA DSSTox
DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose Database
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 Properties Computed from Structure:
| Molecular Weight | 328.79278 [g/mol] | | Molecular Formula | C18H17ClN2O2 | | XLogP3-AA | 3 | | H-Bond Donor | 1 | | H-Bond Acceptor | 3 | | Rotatable Bond Count | 1 | | Tautomer Count | 2 | | Exact Mass | 328.097856 | | MonoIsotopic Mass | 328.097856 | | Topological Polar Surface Area | 41.6 | | Heavy Atom Count | 23 | | Formal Charge | 0 | | Complexity | 468 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 2 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: (2R,11bS)-10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1, 3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Canonical SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
Isomeric SMILES: C[C@@H]1CN2CC(=O)NC3=C([C@@]2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
InChI: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18
(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)/t12-,18+/m1/s1
InChIKey: VCCZBYPHZRWKFY-XIKOKIGWSA-N
Compound Information:
 Substance Information:
Substances: 6 Links
Category: [for same structure substances]
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| Compound ID | 62779 |
| | Molecular Weight | 328.79278 [g/mol] |
| | Molecular Formula | C18H17ClN2O2 |
| | XLogP3-AA | 3 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 3 |
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Literature
