N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide

C10H10N2O3S — CID 19683319

IUPACN-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccon1
InChIInChI=1S/C10H10N2O3S/c13-16(14,12-10-6-7-15-11-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)
InChIKeyRZBZMELSJUFQGS-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.62
Rot. Bonds4

About N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide

N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide (PubChem CID 19683319) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide
PubChem CID19683319
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC NameN-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccon1
InChIInChI=1S/C10H10N2O3S/c13-16(14,12-10-6-7-15-11-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)
InChIKeyRZBZMELSJUFQGS-UHFFFAOYSA-N
XLogP1.62
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide (CID 19683319) is N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide?
The InChIKey is RZBZMELSJUFQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-16(14,12-10-6-7-15-11-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12).
What are the key properties of N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide?
N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 19683319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).