1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide

C19H17N3O4S — CID 166330680

IUPAC1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide
SMILESCc1c(CNS(=O)(=O)Cc2noc3ccccc23)noc1-c1ccccc1
InChIInChI=1S/C19H17N3O4S/c1-13-16(21-26-19(13)14-7-3-2-4-8-14)11-20-27(23,24)12-17-15-9-5-6-10-18(15)25-22-17/h2-10,20H,11-12H2,1H3
InChIKeyXBGIODZSAYSLHU-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.41
Rot. Bonds6

About 1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide (PubChem CID 166330680) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide
PubChem CID166330680
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide
SMILESCc1c(CNS(=O)(=O)Cc2noc3ccccc23)noc1-c1ccccc1
InChIInChI=1S/C19H17N3O4S/c1-13-16(21-26-19(13)14-7-3-2-4-8-14)11-20-27(23,24)12-17-15-9-5-6-10-18(15)25-22-17/h2-10,20H,11-12H2,1H3
InChIKeyXBGIODZSAYSLHU-UHFFFAOYSA-N
XLogP3.41
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 90624629
1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 72719861
1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide
CID 166330692
1-(1,2-benzoxazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]methanesulfonamide
CID 122354165
1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide
CID 90624648
1-(1,2-benzoxazol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 90624501
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669
1-(1,2-benzoxazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanesulfonamide
CID 90624581

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide (CID 166330680) is 1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide is Cc1c(CNS(=O)(=O)Cc2noc3ccccc23)noc1-c1ccccc1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide?
The InChIKey is XBGIODZSAYSLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-13-16(21-26-19(13)14-7-3-2-4-8-14)11-20-27(23,24)12-17-15-9-5-6-10-18(15)25-22-17/h2-10,20H,11-12H2,1H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 166330680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).