azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

C17H19ClN2O2 — CID 717954

IUPACazepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCCC1
InChIInChI=1S/C17H19ClN2O2/c1-12-15(17(21)20-10-6-2-3-7-11-20)16(19-22-12)13-8-4-5-9-14(13)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyPUDHYDXCEKSMFC-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.32
Rot. Bonds2

About azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone (PubChem CID 717954) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
PubChem CID717954
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Nameazepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCCC1
InChIInChI=1S/C17H19ClN2O2/c1-12-15(17(21)20-10-6-2-3-7-11-20)16(19-22-12)13-8-4-5-9-14(13)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyPUDHYDXCEKSMFC-UHFFFAOYSA-N
XLogP4.32
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-
CID 96590
N-[5-Methyl-3-O-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
CID 2815
N-{[3-(2-Chlorophenyl)-5-Methyl-1,2-Oxazol-4-Yl]carbonyl}glycine
CID 426788
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl][2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl]methanone
CID 2797972
[3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-yl](1,4-thiazinan-4-yl)methanone
CID 2804980
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
N4-azepan-1-yl-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2726141
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The IUPAC name of azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone (CID 717954) is azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The InChIKey is PUDHYDXCEKSMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-15(17(21)20-10-6-2-3-7-11-20)16(19-22-12)13-8-4-5-9-14(13)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3.
What are the key properties of azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone has a molecular weight of 318.80 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 717954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).