3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole

C17H15N5OS — CID 75423002

IUPAC3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ncsc1-c1nc2ccccc2n1Cc1nc(C2CC2)no1
InChIInChI=1S/C17H15N5OS/c1-10-15(24-9-18-10)17-19-12-4-2-3-5-13(12)22(17)8-14-20-16(21-23-14)11-6-7-11/h2-5,9,11H,6-8H2,1H3
InChIKeySQOJTJGYMCYMTA-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.78
Rot. Bonds4

About 3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 75423002) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID75423002
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ncsc1-c1nc2ccccc2n1Cc1nc(C2CC2)no1
InChIInChI=1S/C17H15N5OS/c1-10-15(24-9-18-10)17-19-12-4-2-3-5-13(12)22(17)8-14-20-16(21-23-14)11-6-7-11/h2-5,9,11H,6-8H2,1H3
InChIKeySQOJTJGYMCYMTA-UHFFFAOYSA-N
XLogP3.78
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 75423002) is 3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole is Cc1ncsc1-c1nc2ccccc2n1Cc1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is SQOJTJGYMCYMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-10-15(24-9-18-10)17-19-12-4-2-3-5-13(12)22(17)8-14-20-16(21-23-14)11-6-7-11/h2-5,9,11H,6-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 337.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75423002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).