5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide

C25H22N4O3 — CID 118877021

IUPAC5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C25H22N4O3/c30-24(21-16-20(12-15-26-21)18-8-3-1-4-9-18)27-13-7-14-28-25(31)22-17-23(32-29-22)19-10-5-2-6-11-19/h1-6,8-12,15-17H,7,13-14H2,(H,27,30)(H,28,31)
InChIKeyQUNQWMYEDKPLHH-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.95
Rot. Bonds8

About 5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 118877021) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
PubChem CID118877021
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C25H22N4O3/c30-24(21-16-20(12-15-26-21)18-8-3-1-4-9-18)27-13-7-14-28-25(31)22-17-23(32-29-22)19-10-5-2-6-11-19/h1-6,8-12,15-17H,7,13-14H2,(H,27,30)(H,28,31)
InChIKeyQUNQWMYEDKPLHH-UHFFFAOYSA-N
XLogP3.95
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 118877101
4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
CID 131990295
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
CID 131991833
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118877205
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-[4-(5-methyl-1,3-thiazol-4-yl)-4-oxobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 159012659
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70777871
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide (CID 118877021) is 5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide is O=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QUNQWMYEDKPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-24(21-16-20(12-15-26-21)18-8-3-1-4-9-18)27-13-7-14-28-25(31)22-17-23(32-29-22)19-10-5-2-6-11-19/h1-6,8-12,15-17H,7,13-14H2,(H,27,30)(H,28,31).
What are the key properties of 5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118877021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).