2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole

C13H9FN4O — CID 99962720

IUPAC2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCc1ncc(-c2nnc(-c3ccccc3F)o2)cn1
InChIInChI=1S/C13H9FN4O/c1-8-15-6-9(7-16-8)12-17-18-13(19-12)10-4-2-3-5-11(10)14/h2-7H,1H3
InChIKeyORJNGGAHFGJNIK-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.64
Rot. Bonds2

About 2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole

2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole (PubChem CID 99962720) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
PubChem CID99962720
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCc1ncc(-c2nnc(-c3ccccc3F)o2)cn1
InChIInChI=1S/C13H9FN4O/c1-8-15-6-9(7-16-8)12-17-18-13(19-12)10-4-2-3-5-11(10)14/h2-7H,1H3
InChIKeyORJNGGAHFGJNIK-UHFFFAOYSA-N
XLogP2.64
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99962735
2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
CID 863664
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
2-(2-methylpyrimidin-5-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 99962892
2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
CID 29263901
2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 781493
2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 16768252
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 51348336
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 19554513
2-(2-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 859809
2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962923
5-bromo-2-(2-fluorophenyl)-1,3-oxazole
CID 117258910

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole (CID 99962720) is 2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole is Cc1ncc(-c2nnc(-c3ccccc3F)o2)cn1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The InChIKey is ORJNGGAHFGJNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c1-8-15-6-9(7-16-8)12-17-18-13(19-12)10-4-2-3-5-11(10)14/h2-7H,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole has a molecular weight of 256.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).