2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide

C13H14N2O4S — CID 71982396

IUPAC2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)Cc2ccon2)c(C)c1
InChIInChI=1S/C13H14N2O4S/c1-9-3-4-12(10(2)7-9)13(16)15-20(17,18)8-11-5-6-19-14-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyWQYFVBZPHCQZOO-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.55
Rot. Bonds4

About 2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide

2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide (PubChem CID 71982396) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
PubChem CID71982396
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)Cc2ccon2)c(C)c1
InChIInChI=1S/C13H14N2O4S/c1-9-3-4-12(10(2)7-9)13(16)15-20(17,18)8-11-5-6-19-14-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyWQYFVBZPHCQZOO-UHFFFAOYSA-N
XLogP1.55
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
CID 71982404
Isoxazol-benzamide
CID 20546739
4-[(5-Methyl-1,2-oxazol-3-yl)methylsulfonylmethyl]benzamide
CID 47035217
N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 96563411
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
CID 164820749
[2-(1,2-Oxazole-3-carbonyl)-5-(trifluoromethyl)phenyl]methanesulfinate
CID 175233495
1-(1,2-oxazol-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 60342414
3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
CID 71865442
4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide
CID 71906668
2-(4-fluorophenyl)-2-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
CID 71982392
4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
CID 91643837
4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide
CID 99813382

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide (CID 71982396) is 2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide is Cc1ccc(C(=O)NS(=O)(=O)Cc2ccon2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
The InChIKey is WQYFVBZPHCQZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-9-3-4-12(10(2)7-9)13(16)15-20(17,18)8-11-5-6-19-14-11/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide has a molecular weight of 294.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide is sourced from PubChem (CID 71982396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).