N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide

C18H16N2O4S — CID 123196688

IUPACN-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)co1
InChIInChI=1S/C18H16N2O4S/c1-12-19-17(11-24-12)14-4-3-5-15(10-14)20-18(21)13-6-8-16(9-7-13)25(2,22)23/h3-11H,1-2H3,(H,20,21)
InChIKeyOFTDYGAQHYVZPA-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.31
Rot. Bonds4

About N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide

N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide (PubChem CID 123196688) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
PubChem CID123196688
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)co1
InChIInChI=1S/C18H16N2O4S/c1-12-19-17(11-24-12)14-4-3-5-15(10-14)20-18(21)13-6-8-16(9-7-13)25(2,22)23/h3-11H,1-2H3,(H,20,21)
InChIKeyOFTDYGAQHYVZPA-UHFFFAOYSA-N
XLogP3.31
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
CID 123457501
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 136514551
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 52668628
N-[3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]phenyl]-4-methylsulfonylbenzamide
CID 142392068
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 7565654
4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39028264
N-dibenzofuran-2-yl-4-methylsulfonylbenzamide
CID 18081219

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide (CID 123196688) is N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide is Cc1nc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)co1.
What is the InChIKey of N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide?
The InChIKey is OFTDYGAQHYVZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-12-19-17(11-24-12)14-4-3-5-15(10-14)20-18(21)13-6-8-16(9-7-13)25(2,22)23/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide?
N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide has a molecular weight of 356.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 123196688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).