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

C17H16N2O3S — CID 2738169

IUPACN-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1onc(-c2ccccc2)c1CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-13-16(17(19-22-13)14-8-4-2-5-9-14)12-18-23(20,21)15-10-6-3-7-11-15/h2-11,18H,12H2,1H3
InChIKeyQJMJJHFUVVCVPE-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.13
Rot. Bonds5

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

N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 2738169) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID2738169
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1onc(-c2ccccc2)c1CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-13-16(17(19-22-13)14-8-4-2-5-9-14)12-18-23(20,21)15-10-6-3-7-11-15/h2-11,18H,12H2,1H3
InChIKeyQJMJJHFUVVCVPE-UHFFFAOYSA-N
XLogP3.13
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide (CID 2738169) is N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide is Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is QJMJJHFUVVCVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-13-16(17(19-22-13)14-8-4-2-5-9-14)12-18-23(20,21)15-10-6-3-7-11-15/h2-11,18H,12H2,1H3.
What are the key properties of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2738169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).