7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one

C14H13ClN2O2 — CID 14909742

IUPAC7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one
SMILESCc1noc2c1NC(=O)CC(c1cccc(Cl)c1)C2
InChIInChI=1S/C14H13ClN2O2/c1-8-14-12(19-17-8)6-10(7-13(18)16-14)9-3-2-4-11(15)5-9/h2-5,10H,6-7H2,1H3,(H,16,18)
InChIKeyZGVCDIVIMOBXLL-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.30
Rot. Bonds1

About 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one

7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one (PubChem CID 14909742) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one.

Molecular Properties

Compound Name7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one
PubChem CID14909742
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one
SMILESCc1noc2c1NC(=O)CC(c1cccc(Cl)c1)C2
InChIInChI=1S/C14H13ClN2O2/c1-8-14-12(19-17-8)6-10(7-13(18)16-14)9-3-2-4-11(15)5-9/h2-5,10H,6-7H2,1H3,(H,16,18)
InChIKeyZGVCDIVIMOBXLL-UHFFFAOYSA-N
XLogP3.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one with MolForge

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Related Compounds

(4S)-4-(3-chlorophenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135899877
(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 673218
2-methoxyethyl (4S)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7297665
4-(3-ethylphenyl)piperidine-2,6-dione
CID 170001328
(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 41386742
4-(3-chlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320660
(4S)-4-(3-chlorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789587
7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one
CID 143519855
(4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40645278
(4R)-4-(3-chlorophenyl)-3-methyl-1-(4-methylphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136807386
(4S,7R)-4-(3-chlorophenyl)-7-(2,5-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 136746378
(5S)-3-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-5-(3-chlorophenyl)cyclohex-2-en-1-one
CID 30466061

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one?
The IUPAC name of 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one (CID 14909742) is 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one.
What is the SMILES notation for 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one?
The canonical SMILES for 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one is Cc1noc2c1NC(=O)CC(c1cccc(Cl)c1)C2.
What is the InChIKey of 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one?
The InChIKey is ZGVCDIVIMOBXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-14-12(19-17-8)6-10(7-13(18)16-14)9-3-2-4-11(15)5-9/h2-5,10H,6-7H2,1H3,(H,16,18).
What are the key properties of 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one?
7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one has a molecular weight of 276.72 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one is sourced from PubChem (CID 14909742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).