1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one

C19H31N3O2 — CID 45225890

IUPAC1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one
SMILESCC(c1ccon1)N(C)C1CCC(=O)N(CC2CCCCC2)CC1
InChIInChI=1S/C19H31N3O2/c1-15(18-11-13-24-20-18)21(2)17-8-9-19(23)22(12-10-17)14-16-6-4-3-5-7-16/h11,13,15-17H,3-10,12,14H2,1-2H3
InChIKeyDCBHZGCNFBIPFF-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.63
Rot. Bonds5

About 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one

1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one (PubChem CID 45225890) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one
PubChem CID45225890
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one
SMILESCC(c1ccon1)N(C)C1CCC(=O)N(CC2CCCCC2)CC1
InChIInChI=1S/C19H31N3O2/c1-15(18-11-13-24-20-18)21(2)17-8-9-19(23)22(12-10-17)14-16-6-4-3-5-7-16/h11,13,15-17H,3-10,12,14H2,1-2H3
InChIKeyDCBHZGCNFBIPFF-UHFFFAOYSA-N
XLogP3.63
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one (CID 45225890) is 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one is CC(c1ccon1)N(C)C1CCC(=O)N(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one?
The InChIKey is DCBHZGCNFBIPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(18-11-13-24-20-18)21(2)17-8-9-19(23)22(12-10-17)14-16-6-4-3-5-7-16/h11,13,15-17H,3-10,12,14H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one?
1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one has a molecular weight of 333.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]azepan-2-one is sourced from PubChem (CID 45225890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).