5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole

C15H12F2N2O — CID 175847483

IUPAC5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole
SMILESFC(F)C1=NN(c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C15H12F2N2O/c16-14(17)15-18-19(10-20-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyVCUYWUCVZRQRHU-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.73
Rot. Bonds3

About 5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole

5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole (PubChem CID 175847483) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole
PubChem CID175847483
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole
SMILESFC(F)C1=NN(c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C15H12F2N2O/c16-14(17)15-18-19(10-20-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyVCUYWUCVZRQRHU-UHFFFAOYSA-N
XLogP3.73
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole?
The IUPAC name of 5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole (CID 175847483) is 5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole.
What is the SMILES notation for 5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole?
The canonical SMILES for 5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole is FC(F)C1=NN(c2ccc(-c3ccccc3)cc2)CO1.
What is the InChIKey of 5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole?
The InChIKey is VCUYWUCVZRQRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-14(17)15-18-19(10-20-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2.
What are the key properties of 5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole?
5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole has a molecular weight of 274.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole is sourced from PubChem (CID 175847483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).