2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole

C21H19FN2O2 — CID 129489098

IUPAC2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1[C@@H]1C[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1
InChIInChI=1S/C21H19FN2O2/c22-18-9-5-4-8-14(18)16-12-17(16)21-24-23-20(26-21)15-10-11-25-19(15)13-6-2-1-3-7-13/h1-9,15-17,19H,10-12H2/t15-,16-,17-,19+/m0/s1
InChIKeyGPWBIMZJXKUWRB-LSTDLKDCSA-N
MW350.39 g/mol
LogP4.72
Rot. Bonds4

About 2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole

2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole (PubChem CID 129489098) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
PubChem CID129489098
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1[C@@H]1C[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1
InChIInChI=1S/C21H19FN2O2/c22-18-9-5-4-8-14(18)16-12-17(16)21-24-23-20(26-21)15-10-11-25-19(15)13-6-2-1-3-7-13/h1-9,15-17,19H,10-12H2/t15-,16-,17-,19+/m0/s1
InChIKeyGPWBIMZJXKUWRB-LSTDLKDCSA-N
XLogP4.72
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylphenyl)propyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 126811810
1-[3-(4-Fluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469100
2-[2-Methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 146469102
[1-[3-(3,4-Difluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469108
[1-[3-(4-Fluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469139
1-[3-(3,4-Difluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469150
[1-(2-Fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469155
[2-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl] acetate
CID 146469171
[2-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl] carbamate
CID 146469184
2-[1-(2-Fluorophenyl)cyclopropyl]-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 120431257
2-[1-(4-Fluorophenyl)cyclopropyl]-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 120431265
2-[2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 120431282

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole (CID 129489098) is 2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole is Fc1ccccc1[C@@H]1C[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1.
What is the InChIKey of 2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The InChIKey is GPWBIMZJXKUWRB-LSTDLKDCSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-18-9-5-4-8-14(18)16-12-17(16)21-24-23-20(26-21)15-10-11-25-19(15)13-6-2-1-3-7-13/h1-9,15-17,19H,10-12H2/t15-,16-,17-,19+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole has a molecular weight of 350.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 129489098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).