1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide

C14H15N5O3S — CID 91907237

IUPAC1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H15N5O3S/c1-19-9-13(15-10-19)23(20,21)16-8-7-12-17-14(22-18-12)11-5-3-2-4-6-11/h2-6,9-10,16H,7-8H2,1H3
InChIKeyPLCNUSBZJNIXNS-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.99
Rot. Bonds6

About 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide

1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 91907237) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide
PubChem CID91907237
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC Name1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H15N5O3S/c1-19-9-13(15-10-19)23(20,21)16-8-7-12-17-14(22-18-12)11-5-3-2-4-6-11/h2-6,9-10,16H,7-8H2,1H3
InChIKeyPLCNUSBZJNIXNS-UHFFFAOYSA-N
XLogP0.99
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide (CID 91907237) is 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCc2noc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is PLCNUSBZJNIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-19-9-13(15-10-19)23(20,21)16-8-7-12-17-14(22-18-12)11-5-3-2-4-6-11/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide?
1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 91907237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).