3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole

C14H10N4OS — CID 53172678

IUPAC3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCn1cnc2ccc(-c3noc(-c4cccs4)n3)cc21
InChIInChI=1S/C14H10N4OS/c1-18-8-15-10-5-4-9(7-11(10)18)13-16-14(19-17-13)12-3-2-6-20-12/h2-8H,1H3
InChIKeyOSCTYLSQTMUVBF-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.35
Rot. Bonds2

About 3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole

3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53172678) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53172678
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCn1cnc2ccc(-c3noc(-c4cccs4)n3)cc21
InChIInChI=1S/C14H10N4OS/c1-18-8-15-10-5-4-9(7-11(10)18)13-16-14(19-17-13)12-3-2-6-20-12/h2-8H,1H3
InChIKeyOSCTYLSQTMUVBF-UHFFFAOYSA-N
XLogP3.35
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53172678) is 3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is Cn1cnc2ccc(-c3noc(-c4cccs4)n3)cc21.
What is the InChIKey of 3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is OSCTYLSQTMUVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-18-8-15-10-5-4-9(7-11(10)18)13-16-14(19-17-13)12-3-2-6-20-12/h2-8H,1H3.
What are the key properties of 3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 282.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53172678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).