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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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).