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

C18H15BrN2O4S — CID 123457501

IUPAC2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3Br)c2)co1
InChIInChI=1S/C18H15BrN2O4S/c1-11-20-17(10-25-11)12-4-3-5-13(8-12)21-18(22)15-7-6-14(9-16(15)19)26(2,23)24/h3-10H,1-2H3,(H,21,22)
InChIKeyDSFAQYCWORYVAA-UHFFFAOYSA-N
MW435.30 g/mol
LogP4.07
Rot. Bonds4

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

2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide (PubChem CID 123457501) has the molecular formula C18H15BrN2O4S and a molecular weight of 435.30 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
PubChem CID123457501
Molecular FormulaC18H15BrN2O4S
Molecular Weight435.30 g/mol
Exact Mass433.99
IUPAC Name2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3Br)c2)co1
InChIInChI=1S/C18H15BrN2O4S/c1-11-20-17(10-25-11)12-4-3-5-13(8-12)21-18(22)15-7-6-14(9-16(15)19)26(2,23)24/h3-10H,1-2H3,(H,21,22)
InChIKeyDSFAQYCWORYVAA-UHFFFAOYSA-N
XLogP4.07
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
CID 123196688
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 74763767
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 26841808
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
N-benzyl-6-[3-[(2-methyl-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 142392153
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
CID 30873494
2-amino-4-bromo-N-(3-methylsulfonylphenyl)benzamide
CID 79704730
2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
CID 50914465
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
2-bromo-N-(3-methylphenyl)benzamide
CID 532187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide (CID 123457501) is 2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide is Cc1nc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3Br)c2)co1.
What is the InChIKey of 2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide?
The InChIKey is DSFAQYCWORYVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O4S/c1-11-20-17(10-25-11)12-4-3-5-13(8-12)21-18(22)15-7-6-14(9-16(15)19)26(2,23)24/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide?
2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide has a molecular weight of 435.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 123457501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).