(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

C19H23N3O3 — CID 125139175

IUPAC(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1C1CC1
InChIInChI=1S/C19H23N3O3/c1-24-17-9-8-14(11-15(17)13-6-7-13)19(23)22-10-4-2-3-5-16(22)18-20-12-25-21-18/h8-9,11-13,16H,2-7,10H2,1H3/t16-/m1/s1
InChIKeyFAPSQPJOIUDAOI-MRXNPFEDSA-N
MW341.41 g/mol
LogP3.71
Rot. Bonds4

About (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (PubChem CID 125139175) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
PubChem CID125139175
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1C1CC1
InChIInChI=1S/C19H23N3O3/c1-24-17-9-8-14(11-15(17)13-6-7-13)19(23)22-10-4-2-3-5-16(22)18-20-12-25-21-18/h8-9,11-13,16H,2-7,10H2,1H3/t16-/m1/s1
InChIKeyFAPSQPJOIUDAOI-MRXNPFEDSA-N
XLogP3.71
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-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

[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124888579
(3-chlorophenyl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124617199
(3-methoxy-4-methyl-5-nitrophenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 124619794
(3-methylbenzotriazol-5-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 86806177
2-(2-methoxy-5-methylphenyl)-1-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136534988
[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 126766315
N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 91650313
[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124890168
(3,5-dimethylfuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99778689
[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
CID 124617175
[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 167948922
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (CID 125139175) is (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is COc1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1C1CC1.
What is the InChIKey of (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The InChIKey is FAPSQPJOIUDAOI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-9-8-14(11-15(17)13-6-7-13)19(23)22-10-4-2-3-5-16(22)18-20-12-25-21-18/h8-9,11-13,16H,2-7,10H2,1H3/t16-/m1/s1.
What are the key properties of (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is sourced from PubChem (CID 125139175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).