(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide

C10H10N2O3S — CID 54592547

IUPAC(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
SMILESNS(=O)(=O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C10H10N2O3S/c11-16(13,14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,11,13,14)
InChIKeySPHHAYOEPFFFFW-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.13
Rot. Bonds3

About (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide

(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide (PubChem CID 54592547) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
PubChem CID54592547
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
SMILESNS(=O)(=O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C10H10N2O3S/c11-16(13,14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,11,13,14)
InChIKeySPHHAYOEPFFFFW-UHFFFAOYSA-N
XLogP1.13
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide (CID 54592547) is (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide is NS(=O)(=O)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
The InChIKey is SPHHAYOEPFFFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c11-16(13,14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,11,13,14).
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide is sourced from PubChem (CID 54592547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).