3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole

C20H15N5O2S — CID 2742102

IUPAC3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCc1onc(-c2ccccc2)c1-c1nc(CSc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C20H15N5O2S/c1-12-17(18(25-26-12)13-7-3-2-4-8-13)19-23-16(24-27-19)11-28-20-21-14-9-5-6-10-15(14)22-20/h2-10H,11H2,1H3,(H,21,22)
InChIKeyHJRJVQCVRHEBCR-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.87
Rot. Bonds5

About 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole

3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole (PubChem CID 2742102) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
PubChem CID2742102
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC Name3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCc1onc(-c2ccccc2)c1-c1nc(CSc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C20H15N5O2S/c1-12-17(18(25-26-12)13-7-3-2-4-8-13)19-23-16(24-27-19)11-28-20-21-14-9-5-6-10-15(14)22-20/h2-10H,11H2,1H3,(H,21,22)
InChIKeyHJRJVQCVRHEBCR-UHFFFAOYSA-N
XLogP4.87
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole 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-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole (CID 2742102) is 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole is Cc1onc(-c2ccccc2)c1-c1nc(CSc2nc3ccccc3[nH]2)no1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is HJRJVQCVRHEBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c1-12-17(18(25-26-12)13-7-3-2-4-8-13)19-23-16(24-27-19)11-28-20-21-14-9-5-6-10-15(14)22-20/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 389.44 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 2742102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).