[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone

C22H23N3O2 — CID 99609284

IUPAC[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone
SMILESCc1nnc(-c2ccccc2C(=O)N2CCC[C@@H](c3ccccc3)CC2)o1
InChIInChI=1S/C22H23N3O2/c1-16-23-24-21(27-16)19-11-5-6-12-20(19)22(26)25-14-7-10-18(13-15-25)17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3/t18-/m1/s1
InChIKeyPVAFGEPRYOGASO-GOSISDBHSA-N
MW361.45 g/mol
LogP4.45
Rot. Bonds3

About [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone

[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone (PubChem CID 99609284) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone.

Molecular Properties

Compound Name[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone
PubChem CID99609284
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone
SMILESCc1nnc(-c2ccccc2C(=O)N2CCC[C@@H](c3ccccc3)CC2)o1
InChIInChI=1S/C22H23N3O2/c1-16-23-24-21(27-16)19-11-5-6-12-20(19)22(26)25-14-7-10-18(13-15-25)17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3/t18-/m1/s1
InChIKeyPVAFGEPRYOGASO-GOSISDBHSA-N
XLogP4.45
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-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

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The IUPAC name of [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone (CID 99609284) is [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone.
What is the SMILES notation for [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The canonical SMILES for [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone is Cc1nnc(-c2ccccc2C(=O)N2CCC[C@@H](c3ccccc3)CC2)o1.
What is the InChIKey of [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The InChIKey is PVAFGEPRYOGASO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-23-24-21(27-16)19-11-5-6-12-20(19)22(26)25-14-7-10-18(13-15-25)17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3/t18-/m1/s1.
What are the key properties of [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone?
[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone is sourced from PubChem (CID 99609284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).