1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide

C12H11N3O3S — CID 104600391

IUPAC1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCc1ccno1
InChIInChI=1S/C12H11N3O3S/c13-7-10-3-1-2-4-11(10)9-19(16,17)15-8-12-5-6-14-18-12/h1-6,15H,8-9H2
InChIKeyBILBNPWGDOXRFL-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.17
Rot. Bonds5

About 1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide

1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide (PubChem CID 104600391) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
PubChem CID104600391
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCc1ccno1
InChIInChI=1S/C12H11N3O3S/c13-7-10-3-1-2-4-11(10)9-19(16,17)15-8-12-5-6-14-18-12/h1-6,15H,8-9H2
InChIKeyBILBNPWGDOXRFL-UHFFFAOYSA-N
XLogP1.17
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811
1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 103830213
1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823577
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 106419997
1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 61068746
1-(2-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115360457
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide
CID 79529172
1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
CID 60729368
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424008

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide (CID 104600391) is 1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NCc1ccno1.
What is the InChIKey of 1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide?
The InChIKey is BILBNPWGDOXRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c13-7-10-3-1-2-4-11(10)9-19(16,17)15-8-12-5-6-14-18-12/h1-6,15H,8-9H2.
What are the key properties of 1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide?
1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.17, 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-(1,2-oxazol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 104600391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).