3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide

C18H14N4O4S — CID 53042645

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(S(=O)(=O)Nc3ccc(-c4ccno4)cc3)c2)no1
InChIInChI=1S/C18H14N4O4S/c1-12-20-18(21-25-12)14-3-2-4-16(11-14)27(23,24)22-15-7-5-13(6-8-15)17-9-10-19-26-17/h2-11,22H,1H3
InChIKeyXHLUCQIKKWJGCF-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.50
Rot. Bonds5

About 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 53042645) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
PubChem CID53042645
Molecular FormulaC18H14N4O4S
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(S(=O)(=O)Nc3ccc(-c4ccno4)cc3)c2)no1
InChIInChI=1S/C18H14N4O4S/c1-12-20-18(21-25-12)14-3-2-4-16(11-14)27(23,24)22-15-7-5-13(6-8-15)17-9-10-19-26-17/h2-11,22H,1H3
InChIKeyXHLUCQIKKWJGCF-UHFFFAOYSA-N
XLogP3.50
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide 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 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide (CID 53042645) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide is Cc1nc(-c2cccc(S(=O)(=O)Nc3ccc(-c4ccno4)cc3)c2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is XHLUCQIKKWJGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S/c1-12-20-18(21-25-12)14-3-2-4-16(11-14)27(23,24)22-15-7-5-13(6-8-15)17-9-10-19-26-17/h2-11,22H,1H3.
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 382.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 53042645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).