3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole

C14H15FN6O — CID 173051212

IUPAC3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole
SMILESCn1c(-c2noc(N3CCNCC3)n2)nc2ccc(F)cc21
InChIInChI=1S/C14H15FN6O/c1-20-11-8-9(15)2-3-10(11)17-13(20)12-18-14(22-19-12)21-6-4-16-5-7-21/h2-3,8,16H,4-7H2,1H3
InChIKeyWVSHVONJMBLPCT-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.17
Rot. Bonds2

About 3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole

3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole (PubChem CID 173051212) has the molecular formula C14H15FN6O and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole
PubChem CID173051212
Molecular FormulaC14H15FN6O
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole
SMILESCn1c(-c2noc(N3CCNCC3)n2)nc2ccc(F)cc21
InChIInChI=1S/C14H15FN6O/c1-20-11-8-9(15)2-3-10(11)17-13(20)12-18-14(22-19-12)21-6-4-16-5-7-21/h2-3,8,16H,4-7H2,1H3
InChIKeyWVSHVONJMBLPCT-UHFFFAOYSA-N
XLogP1.17
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole (CID 173051212) is 3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole is Cn1c(-c2noc(N3CCNCC3)n2)nc2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole?
The InChIKey is WVSHVONJMBLPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O/c1-20-11-8-9(15)2-3-10(11)17-13(20)12-18-14(22-19-12)21-6-4-16-5-7-21/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole?
3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole has a molecular weight of 302.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-methylbenzimidazol-2-yl)-5-piperazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 173051212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).