N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C23H20N4O2 — CID 48500589

IUPACN-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1)c1ccccc1
InChIInChI=1S/C23H20N4O2/c1-16(17-6-3-2-4-7-17)25-19-9-11-20(12-10-19)26-23(28)21-14-22(29-27-21)18-8-5-13-24-15-18/h2-16,25H,1H3,(H,26,28)
InChIKeyQVFYCCDKEVPRLK-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.16
Rot. Bonds6

About N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 48500589) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID48500589
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1)c1ccccc1
InChIInChI=1S/C23H20N4O2/c1-16(17-6-3-2-4-7-17)25-19-9-11-20(12-10-19)26-23(28)21-14-22(29-27-21)18-8-5-13-24-15-18/h2-16,25H,1H3,(H,26,28)
InChIKeyQVFYCCDKEVPRLK-UHFFFAOYSA-N
XLogP5.16
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide
CID 51117222
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 71893214
N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 53051794
N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47052934
N-(2-methyl-1,3-benzoxazol-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 46491961
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 166209272
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[3-methyl-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119049246
N-(2-chloro-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 17253103
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 78884142

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 48500589) is N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is CC(Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is QVFYCCDKEVPRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16(17-6-3-2-4-7-17)25-19-9-11-20(12-10-19)26-23(28)21-14-22(29-27-21)18-8-5-13-24-15-18/h2-16,25H,1H3,(H,26,28).
What are the key properties of N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 48500589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).