2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide

C23H19N3O3 — CID 117085382

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccn1
InChIInChI=1S/C23H19N3O3/c1-15-22(16(2)29-26-15)21-14-17(12-13-24-21)23(27)25-18-8-10-20(11-9-18)28-19-6-4-3-5-7-19/h3-14H,1-2H3,(H,25,27)
InChIKeyLUUNGUXZCQHVNA-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.40
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide (PubChem CID 117085382) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide
PubChem CID117085382
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccn1
InChIInChI=1S/C23H19N3O3/c1-15-22(16(2)29-26-15)21-14-17(12-13-24-21)23(27)25-18-8-10-20(11-9-18)28-19-6-4-3-5-7-19/h3-14H,1-2H3,(H,25,27)
InChIKeyLUUNGUXZCQHVNA-UHFFFAOYSA-N
XLogP5.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 117091054
2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110669843
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2571454
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenoxybenzamide
CID 2141409
4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
CID 102503336

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide (CID 117085382) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide is Cc1noc(C)c1-c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccn1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide?
The InChIKey is LUUNGUXZCQHVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-22(16(2)29-26-15)21-14-17(12-13-24-21)23(27)25-18-8-10-20(11-9-18)28-19-6-4-3-5-7-19/h3-14H,1-2H3,(H,25,27).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 117085382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).