N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide

C11H6FN3O2 — CID 79953680

IUPACN-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccon1
InChIInChI=1S/C11H6FN3O2/c12-8-1-2-9(7(5-8)6-13)14-11(16)10-3-4-17-15-10/h1-5H,(H,14,16)
InChIKeyHPYWFMCRGMRKDM-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.94
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide

N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 79953680) has the molecular formula C11H6FN3O2 and a molecular weight of 231.19 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID79953680
Molecular FormulaC11H6FN3O2
Molecular Weight231.19 g/mol
Exact Mass231.04
IUPAC NameN-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccon1
InChIInChI=1S/C11H6FN3O2/c12-8-1-2-9(7(5-8)6-13)14-11(16)10-3-4-17-15-10/h1-5H,(H,14,16)
InChIKeyHPYWFMCRGMRKDM-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 82016209
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39039205
N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 79954179
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912
N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79504211
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 79953680) is N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide is N#Cc1cc(F)ccc1NC(=O)c1ccon1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HPYWFMCRGMRKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O2/c12-8-1-2-9(7(5-8)6-13)14-11(16)10-3-4-17-15-10/h1-5H,(H,14,16).
What are the key properties of N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 231.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79953680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).