10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one

C18H17ClN2O2 — CID 4617

💊View drug profile → oxazolam
IUPAC10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
SMILESCC1CN2CC(=O)Nc3ccc(Cl)cc3C2(c2ccccc2)O1
InChIInChI=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)
InChIKeyVCCZBYPHZRWKFY-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.21
Rot. Bonds1

About 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one

10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one (PubChem CID 4617) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
PubChem CID4617
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
SMILESCC1CN2CC(=O)Nc3ccc(Cl)cc3C2(c2ccccc2)O1
InChIInChI=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)
InChIKeyVCCZBYPHZRWKFY-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one with MolForge

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Related Compounds

Cloxazolam
CID 2816
Mexazolam
CID 4177
Ketazolam
CID 33746
Flutazolam
CID 3398
(2R-trans)-Oxazolam
CID 62779
Oxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one, 2,3,7,11b-tetrahydro-10-chloro-11b-phenyl-
CID 212322
2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-5-methoxy-4-nitro-5-phenyl-
CID 3046490
Oxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one, 2,3,7,11b-tetrahydro-10-bromo-11b-(o-chlorophenyl)-2-methyl-
CID 212326
Cloxazolam, (S)-
CID 25271643
2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid
CID 215290
2H-3,1-Benzoxazine-1(4H)-acetic acid, 6-chloro-2-oxo-4-phenyl-, ethyl ester
CID 215291
(3R,11bR)-10-chloro-11b-(2-chlorophenyl)-3-methyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
CID 76961231

Frequently Asked Questions

What is the IUPAC name of 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one?
The IUPAC name of 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one (CID 4617) is 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one.
What is the SMILES notation for 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one?
The canonical SMILES for 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one is CC1CN2CC(=O)Nc3ccc(Cl)cc3C2(c2ccccc2)O1.
What is the InChIKey of 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one?
The InChIKey is VCCZBYPHZRWKFY-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one?
10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one has a molecular weight of 328.80 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one is sourced from PubChem (CID 4617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).