1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide

C13H13N3O3S — CID 103830213

IUPAC1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2ccccc2C#N)o1
InChIInChI=1S/C13H13N3O3S/c1-10-7-15-13(19-10)8-16-20(17,18)9-12-5-3-2-4-11(12)6-14/h2-5,7,16H,8-9H2,1H3
InChIKeyJOMOHRDHEARGNK-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.47
Rot. Bonds5

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

1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide (PubChem CID 103830213) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
PubChem CID103830213
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2ccccc2C#N)o1
InChIInChI=1S/C13H13N3O3S/c1-10-7-15-13(19-10)8-16-20(17,18)9-12-5-3-2-4-11(12)6-14/h2-5,7,16H,8-9H2,1H3
InChIKeyJOMOHRDHEARGNK-UHFFFAOYSA-N
XLogP1.47
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 104600391
1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 61068746
1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823577
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide
CID 79529172
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
4-fluoro-2-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 106372344
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
CID 167778750
N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 110660420
1-(2-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115360457
3-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzenecarbothioamide
CID 106372384
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 75475351

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide (CID 103830213) is 1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide is Cc1cnc(CNS(=O)(=O)Cc2ccccc2C#N)o1.
What is the InChIKey of 1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The InChIKey is JOMOHRDHEARGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-10-7-15-13(19-10)8-16-20(17,18)9-12-5-3-2-4-11(12)6-14/h2-5,7,16H,8-9H2,1H3.
What are the key properties of 1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide has a molecular weight of 291.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 103830213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).