5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole

C18H15FN4O — CID 53030953

IUPAC5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1cnc2cc(-c3noc(-c4ccccc4F)n3)ccc21
InChIInChI=1S/C18H15FN4O/c1-2-9-23-11-20-15-10-12(7-8-16(15)23)17-21-18(24-22-17)13-5-3-4-6-14(13)19/h3-8,10-11H,2,9H2,1H3
InChIKeyPSLMPGHFNUNUKW-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.30
Rot. Bonds4

About 5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole

5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53030953) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID53030953
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1cnc2cc(-c3noc(-c4ccccc4F)n3)ccc21
InChIInChI=1S/C18H15FN4O/c1-2-9-23-11-20-15-10-12(7-8-16(15)23)17-21-18(24-22-17)13-5-3-4-6-14(13)19/h3-8,10-11H,2,9H2,1H3
InChIKeyPSLMPGHFNUNUKW-UHFFFAOYSA-N
XLogP4.30
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53030953) is 5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole is CCCn1cnc2cc(-c3noc(-c4ccccc4F)n3)ccc21.
What is the InChIKey of 5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is PSLMPGHFNUNUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-2-9-23-11-20-15-10-12(7-8-16(15)23)17-21-18(24-22-17)13-5-3-4-6-14(13)19/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 322.34 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53030953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).