N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C21H16N4O2 — CID 47048043

IUPACN-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C21H16N4O2/c26-21(19-13-20(27-25-19)15-5-4-12-22-14-15)24-18-10-8-17(9-11-18)23-16-6-2-1-3-7-16/h1-14,23H,(H,24,26)
InChIKeyNWDXRZDTKLIKFZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.73
Rot. Bonds5

About N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 47048043) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID47048043
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C21H16N4O2/c26-21(19-13-20(27-25-19)15-5-4-12-22-14-15)24-18-10-8-17(9-11-18)23-16-6-2-1-3-7-16/h1-14,23H,(H,24,26)
InChIKeyNWDXRZDTKLIKFZ-UHFFFAOYSA-N
XLogP4.73
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 48500589
N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47052934
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112
N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 53051794
N-(2-chloro-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 17253103
N-(3-piperidin-1-ylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86832440
N-(2-methyl-1,3-benzoxazol-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 46491961
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 122295737
2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119213726
ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 53051791
5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide
CID 51117222
5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide
CID 154876265

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 47048043) is N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is NWDXRZDTKLIKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(19-13-20(27-25-19)15-5-4-12-22-14-15)24-18-10-8-17(9-11-18)23-16-6-2-1-3-7-16/h1-14,23H,(H,24,26).
What are the key properties of N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47048043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).