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

C17H26N2O2 — CID 56920108

IUPACcyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
SMILESCc1cc(C2CCCCCN2C(=O)C2CCCCC2)on1
InChIInChI=1S/C17H26N2O2/c1-13-12-16(21-18-13)15-10-6-3-7-11-19(15)17(20)14-8-4-2-5-9-14/h12,14-15H,2-11H2,1H3
InChIKeyOALLEZYEVYOLDE-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.01
Rot. Bonds2

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

cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone (PubChem CID 56920108) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
PubChem CID56920108
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namecyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
SMILESCc1cc(C2CCCCCN2C(=O)C2CCCCC2)on1
InChIInChI=1S/C17H26N2O2/c1-13-12-16(21-18-13)15-10-6-3-7-11-19(15)17(20)14-8-4-2-5-9-14/h12,14-15H,2-11H2,1H3
InChIKeyOALLEZYEVYOLDE-UHFFFAOYSA-N
XLogP4.01
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-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

cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 103775189
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106739463
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 127620950
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 127322889
(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 92554001
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
2,3-dimethyl-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76992612
(4-chloro-1-methylpyrazol-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 110214496
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone (CID 56920108) is cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone is Cc1cc(C2CCCCCN2C(=O)C2CCCCC2)on1.
What is the InChIKey of cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone?
The InChIKey is OALLEZYEVYOLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-12-16(21-18-13)15-10-6-3-7-11-19(15)17(20)14-8-4-2-5-9-14/h12,14-15H,2-11H2,1H3.
What are the key properties of cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone?
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone is sourced from PubChem (CID 56920108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).