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

C12H8FN3O4S — CID 99713946

IUPACN-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C12H8FN3O4S/c1-7-11(15-6-20-7)12(17)16-21(18,19)10-4-2-3-9(13)8(10)5-14/h2-4,6H,1H3,(H,16,17)
InChIKeySTJXDPOVYQASPE-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.11
Rot. Bonds3

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

N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 99713946) has the molecular formula C12H8FN3O4S and a molecular weight of 309.28 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID99713946
Molecular FormulaC12H8FN3O4S
Molecular Weight309.28 g/mol
Exact Mass309.02
IUPAC NameN-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C12H8FN3O4S/c1-7-11(15-6-20-7)12(17)16-21(18,19)10-4-2-3-9(13)8(10)5-14/h2-4,6H,1H3,(H,16,17)
InChIKeySTJXDPOVYQASPE-UHFFFAOYSA-N
XLogP1.11
TPSA113.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 71969403
N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 71969405
N-(2-fluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 71985434
4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110671279
3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 138018164
N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide
CID 167879524
N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 71982478
5-methyl-N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)-1,3-oxazole-4-carboxamide
CID 74245279
5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide
CID 91653068
N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
CID 98688932
N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 99807006
N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 99807009

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide (CID 99713946) is N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NS(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is STJXDPOVYQASPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O4S/c1-7-11(15-6-20-7)12(17)16-21(18,19)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)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide?
N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 309.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99713946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).