N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide

C17H10FN3O2 — CID 110651346

IUPACN-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnoc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H10FN3O2/c18-13-5-3-12(4-6-13)16-15(10-20-23-16)17(22)21-14-7-1-11(9-19)2-8-14/h1-8,10H,(H,21,22)
InChIKeyAVSPGSMIHFEOIV-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.60
Rot. Bonds3

About N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide

N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide (PubChem CID 110651346) has the molecular formula C17H10FN3O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
PubChem CID110651346
Molecular FormulaC17H10FN3O2
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC NameN-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnoc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H10FN3O2/c18-13-5-3-12(4-6-13)16-15(10-20-23-16)17(22)21-14-7-1-11(9-19)2-8-14/h1-8,10H,(H,21,22)
InChIKeyAVSPGSMIHFEOIV-UHFFFAOYSA-N
XLogP3.60
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110650714
N-(3-acetamidophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110650555
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110410101
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile
CID 54205927
N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 176858540
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832757
N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 71812072
5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110650762
5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110650836

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide (CID 110651346) is N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide is N#Cc1ccc(NC(=O)c2cnoc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is AVSPGSMIHFEOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2/c18-13-5-3-12(4-6-13)16-15(10-20-23-16)17(22)21-14-7-1-11(9-19)2-8-14/h1-8,10H,(H,21,22).
What are the key properties of N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110651346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).