2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole

C13H8F2N4O — CID 162351204

IUPAC2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(-c3ccccc3)nc2)o1
InChIInChI=1S/C13H8F2N4O/c14-10(15)13-19-18-12(20-13)9-6-16-11(17-7-9)8-4-2-1-3-5-8/h1-7,10H
InChIKeyQDBMCGPEJOPSTA-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.13
Rot. Bonds3

About 2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole

2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole (PubChem CID 162351204) has the molecular formula C13H8F2N4O and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole
PubChem CID162351204
Molecular FormulaC13H8F2N4O
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Name2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(-c3ccccc3)nc2)o1
InChIInChI=1S/C13H8F2N4O/c14-10(15)13-19-18-12(20-13)9-6-16-11(17-7-9)8-4-2-1-3-5-8/h1-7,10H
InChIKeyQDBMCGPEJOPSTA-UHFFFAOYSA-N
XLogP3.13
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-(2,6-difluorophenyl)ethyl]pyrimidin-2-amine
CID 146676715
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(2,6-difluorophenyl)ethyl]pyrimidin-2-amine
CID 146676716
CID 162722400
CID 162722400
2-(difluoromethyl)-5-[5-[(4-phenyltriazol-1-yl)methyl]-2-pyridinyl]-1,3,4-oxadiazole
CID 162767602
N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine
CID 156539218
2-(difluoromethyl)-5-[2-[(3-isocyanophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290195
N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032716
2-(difluoromethyl)-5-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 162722510
2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 162518629
2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 158256383
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
CID 67031947
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole (CID 162351204) is 2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2cnc(-c3ccccc3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole?
The InChIKey is QDBMCGPEJOPSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O/c14-10(15)13-19-18-12(20-13)9-6-16-11(17-7-9)8-4-2-1-3-5-8/h1-7,10H.
What are the key properties of 2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole has a molecular weight of 274.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162351204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).