N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide

C12H8FN3O2 — CID 79487939

IUPACN-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C12H8FN3O2/c1-7-11(18-6-15-7)12(17)16-10-4-2-3-9(13)8(10)5-14/h2-4,6H,1H3,(H,16,17)
InChIKeyLGACBFWLVZJAKI-UHFFFAOYSA-N
MW245.21 g/mol
LogP2.25
Rot. Bonds2

About N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 79487939) has the molecular formula C12H8FN3O2 and a molecular weight of 245.21 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID79487939
Molecular FormulaC12H8FN3O2
Molecular Weight245.21 g/mol
Exact Mass245.06
IUPAC NameN-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C12H8FN3O2/c1-7-11(18-6-15-7)12(17)16-10-4-2-3-9(13)8(10)5-14/h2-4,6H,1H3,(H,16,17)
InChIKeyLGACBFWLVZJAKI-UHFFFAOYSA-N
XLogP2.25
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332
N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 115659818
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-(2-cyano-3-fluorophenyl)quinoxaline-2-carboxamide
CID 95763379
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716
N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103819414
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103097724
2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide
CID 106852092
2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide
CID 61264990
N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113330185
6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43580818
2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
CID 43580726

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 79487939) is N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1cccc(F)c1C#N.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is LGACBFWLVZJAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O2/c1-7-11(18-6-15-7)12(17)16-10-4-2-3-9(13)8(10)5-14/h2-4,6H,1H3,(H,16,17).
What are the key properties of N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 245.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79487939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).