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

C19H21ClN2O2 — CID 90504286

IUPACazepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
SMILESO=C(N1CCCCCC1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-15-7-5-14(6-8-15)16-13-17(21-24-16)19(9-10-19)18(23)22-11-3-1-2-4-12-22/h5-8,13H,1-4,9-12H2
InChIKeyICFFTDHTELBLDP-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.43
Rot. Bonds3

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

azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone (PubChem CID 90504286) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
PubChem CID90504286
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Nameazepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
SMILESO=C(N1CCCCCC1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-15-7-5-14(6-8-15)16-13-17(21-24-16)19(9-10-19)18(23)22-11-3-1-2-4-12-22/h5-8,13H,1-4,9-12H2
InChIKeyICFFTDHTELBLDP-UHFFFAOYSA-N
XLogP4.43
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]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

1-[4-[4-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 90504480
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide
CID 90504315
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 90503978
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N,N-dimethylcyclopropane-1-carboxamide
CID 90504280
(4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90503309
[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90504521
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90503094
[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 90504805
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424
N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504433
1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide
CID 90504580
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 90504356

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The IUPAC name of azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone (CID 90504286) is azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone.
What is the SMILES notation for azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The canonical SMILES for azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone is O=C(N1CCCCCC1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The InChIKey is ICFFTDHTELBLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-15-7-5-14(6-8-15)16-13-17(21-24-16)19(9-10-19)18(23)22-11-3-1-2-4-12-22/h5-8,13H,1-4,9-12H2.
What are the key properties of azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone has a molecular weight of 344.84 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone is sourced from PubChem (CID 90504286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).