azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone

C29H33N3O3 — CID 53122967

IUPACazepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ocnc1C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCCCC1
InChIInChI=1S/C29H33N3O3/c33-28(31-16-8-1-2-9-17-31)25-13-7-6-12-24(25)27-26(30-21-35-27)29(34)32-18-14-23(15-19-32)20-22-10-4-3-5-11-22/h3-7,10-13,21,23H,1-2,8-9,14-20H2
InChIKeyCNEVBJPAZCIAER-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.45
Rot. Bonds5

About azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone

azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone (PubChem CID 53122967) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
PubChem CID53122967
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Nameazepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ocnc1C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCCCC1
InChIInChI=1S/C29H33N3O3/c33-28(31-16-8-1-2-9-17-31)25-13-7-6-12-24(25)27-26(30-21-35-27)29(34)32-18-14-23(15-19-32)20-22-10-4-3-5-11-22/h3-7,10-13,21,23H,1-2,8-9,14-20H2
InChIKeyCNEVBJPAZCIAER-UHFFFAOYSA-N
XLogP5.45
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]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

piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
azepan-1-yl-[2-[4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122960
5-[2-(azepane-1-carbonyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 95090581
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122841
N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122805
5-[2-(azepane-1-carbonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53122961
[2-[4-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 95090568
[2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 95090567
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972015
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone?
The IUPAC name of azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone (CID 53122967) is azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone?
The canonical SMILES for azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone is O=C(c1ccccc1-c1ocnc1C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone?
The InChIKey is CNEVBJPAZCIAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c33-28(31-16-8-1-2-9-17-31)25-13-7-6-12-24(25)27-26(30-21-35-27)29(34)32-18-14-23(15-19-32)20-22-10-4-3-5-11-22/h3-7,10-13,21,23H,1-2,8-9,14-20H2.
What are the key properties of azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone?
azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone has a molecular weight of 471.60 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone is sourced from PubChem (CID 53122967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).