5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole

C19H15FN4O2 — CID 95215992

IUPAC5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc([C@]2(c3noc(-c4ccc5nc[nH]c5c4)n3)CCOC2)cc1
InChIInChI=1S/C19H15FN4O2/c20-14-4-2-13(3-5-14)19(7-8-25-10-19)18-23-17(26-24-18)12-1-6-15-16(9-12)22-11-21-15/h1-6,9,11H,7-8,10H2,(H,21,22)/t19-/m0/s1
InChIKeyMEOKWUMKHKWLNH-IBGZPJMESA-N
MW350.35 g/mol
LogP3.46
Rot. Bonds3

About 5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole

5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 95215992) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID95215992
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc([C@]2(c3noc(-c4ccc5nc[nH]c5c4)n3)CCOC2)cc1
InChIInChI=1S/C19H15FN4O2/c20-14-4-2-13(3-5-14)19(7-8-25-10-19)18-23-17(26-24-18)12-1-6-15-16(9-12)22-11-21-15/h1-6,9,11H,7-8,10H2,(H,21,22)/t19-/m0/s1
InChIKeyMEOKWUMKHKWLNH-IBGZPJMESA-N
XLogP3.46
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole
CID 95218529
3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one
CID 95204467
3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
CID 29022096
5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
1-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 56712323
3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 56717288
N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 45190975
3-(3H-benzimidazol-5-yl)oxetan-3-amine
CID 116872687
1-[[3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 95212564
3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 166213858
6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole
CID 116875889
[4-[3-(3H-benzimidazol-5-yl)phenyl]oxan-4-yl]methanamine
CID 166247306

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole (CID 95215992) is 5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole is Fc1ccc([C@]2(c3noc(-c4ccc5nc[nH]c5c4)n3)CCOC2)cc1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is MEOKWUMKHKWLNH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-14-4-2-13(3-5-14)19(7-8-25-10-19)18-23-17(26-24-18)12-1-6-15-16(9-12)22-11-21-15/h1-6,9,11H,7-8,10H2,(H,21,22)/t19-/m0/s1.
What are the key properties of 5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole?
5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 350.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95215992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).