3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole

C17H13FN2O — CID 139217157

IUPAC3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc([C@@H]3C[C@H]3c3ccccc3)n2)cc1
InChIInChI=1S/C17H13FN2O/c18-13-8-6-12(7-9-13)16-19-17(21-20-16)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2/t14-,15+/m0/s1
InChIKeyZONCNUATXJGFLT-LSDHHAIUSA-N
MW280.30 g/mol
LogP4.15
Rot. Bonds3

About 3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole (PubChem CID 139217157) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole
PubChem CID139217157
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc([C@@H]3C[C@H]3c3ccccc3)n2)cc1
InChIInChI=1S/C17H13FN2O/c18-13-8-6-12(7-9-13)16-19-17(21-20-16)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2/t14-,15+/m0/s1
InChIKeyZONCNUATXJGFLT-LSDHHAIUSA-N
XLogP4.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole (CID 139217157) is 3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole is Fc1ccc(-c2noc([C@@H]3C[C@H]3c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole?
The InChIKey is ZONCNUATXJGFLT-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-13-8-6-12(7-9-13)16-19-17(21-20-16)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2/t14-,15+/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole has a molecular weight of 280.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 139217157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).