3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide

C26H23N3O3 — CID 35277011

IUPAC3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C26H23N3O3/c30-25(27-22-12-6-5-11-20(22)26(31)29-15-7-2-8-16-29)19-13-14-23-21(17-19)24(32-28-23)18-9-3-1-4-10-18/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,27,30)
InChIKeyZFLREXFEZWTRHN-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.37
Rot. Bonds4

About 3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide

3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide (PubChem CID 35277011) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide
PubChem CID35277011
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C26H23N3O3/c30-25(27-22-12-6-5-11-20(22)26(31)29-15-7-2-8-16-29)19-13-14-23-21(17-19)24(32-28-23)18-9-3-1-4-10-18/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,27,30)
InChIKeyZFLREXFEZWTRHN-UHFFFAOYSA-N
XLogP5.37
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
3-phenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-2,1-benzoxazole-5-carboxamide
CID 60555246
(3-phenyl-2,1-benzoxazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 30739138
[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 38861430
[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 22575651
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide
CID 55849250
N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71895533
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 35277906

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide (CID 35277011) is 3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of 3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide?
The InChIKey is ZFLREXFEZWTRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25(27-22-12-6-5-11-20(22)26(31)29-15-7-2-8-16-29)19-13-14-23-21(17-19)24(32-28-23)18-9-3-1-4-10-18/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,27,30).
What are the key properties of 3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide?
3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 35277011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).