N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H16N4O3S — CID 72544375

IUPACN-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cncc(C#N)c2)cc1
InChIInChI=1S/C18H16N4O3S/c1-12-18(13(2)25-22-12)26(23,24)21-10-14-3-5-16(6-4-14)17-7-15(8-19)9-20-11-17/h3-7,9,11,21H,10H2,1-2H3
InChIKeyHDRANTGHBHOYTB-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.70
Rot. Bonds5

About N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 72544375) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID72544375
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cncc(C#N)c2)cc1
InChIInChI=1S/C18H16N4O3S/c1-12-18(13(2)25-22-12)26(23,24)21-10-14-3-5-16(6-4-14)17-7-15(8-19)9-20-11-17/h3-7,9,11,21H,10H2,1-2H3
InChIKeyHDRANTGHBHOYTB-UHFFFAOYSA-N
XLogP2.70
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 72544375) is N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cncc(C#N)c2)cc1.
What is the InChIKey of N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is HDRANTGHBHOYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-12-18(13(2)25-22-12)26(23,24)21-10-14-3-5-16(6-4-14)17-7-15(8-19)9-20-11-17/h3-7,9,11,21H,10H2,1-2H3.
What are the key properties of N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 368.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 72544375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).