3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide

C25H22N4O3 — CID 55849250

IUPAC3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C25H22N4O3/c30-24(27-20-10-14-29(15-11-20)25(31)18-8-12-26-13-9-18)19-6-7-22-21(16-19)23(32-28-22)17-4-2-1-3-5-17/h1-9,12-13,16,20H,10-11,14-15H2,(H,27,30)
InChIKeyIHFOQOROZCVGEU-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.92
Rot. Bonds4

About 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide

3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide (PubChem CID 55849250) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide
PubChem CID55849250
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C25H22N4O3/c30-24(27-20-10-14-29(15-11-20)25(31)18-8-12-26-13-9-18)19-6-7-22-21(16-19)23(32-28-22)17-4-2-1-3-5-17/h1-9,12-13,16,20H,10-11,14-15H2,(H,27,30)
InChIKeyIHFOQOROZCVGEU-UHFFFAOYSA-N
XLogP3.92
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide 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

N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
N-[(3S)-1-methylpiperidin-3-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 95976740
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-(5-chloro-2-pyridinyl)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidine-4-carboxamide
CID 55931661
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 51923600
(3-methylsulfonylpyrrolidin-1-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 90586999
3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide
CID 35277011
5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47800468
(3-phenyl-2,1-benzoxazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 30739138
[4-(furan-2-carbonyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9450440

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide (CID 55849250) is 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide is O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide?
The InChIKey is IHFOQOROZCVGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-24(27-20-10-14-29(15-11-20)25(31)18-8-12-26-13-9-18)19-6-7-22-21(16-19)23(32-28-22)17-4-2-1-3-5-17/h1-9,12-13,16,20H,10-11,14-15H2,(H,27,30).
What are the key properties of 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide?
3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 55849250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).