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

C15H11FN4O — CID 99962735

IUPAC2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(-c2cnc(C3CC3)nc2)o1
InChIInChI=1S/C15H11FN4O/c16-12-4-2-1-3-11(12)15-20-19-14(21-15)10-7-17-13(18-8-10)9-5-6-9/h1-4,7-9H,5-6H2
InChIKeyOZSUZNRUWVEWPZ-UHFFFAOYSA-N
MW282.28 g/mol
LogP3.21
Rot. Bonds3

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

2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 99962735) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID99962735
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(-c2cnc(C3CC3)nc2)o1
InChIInChI=1S/C15H11FN4O/c16-12-4-2-1-3-11(12)15-20-19-14(21-15)10-7-17-13(18-8-10)9-5-6-9/h1-4,7-9H,5-6H2
InChIKeyOZSUZNRUWVEWPZ-UHFFFAOYSA-N
XLogP3.21
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 99962735) is 2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole is Fc1ccccc1-c1nnc(-c2cnc(C3CC3)nc2)o1.
What is the InChIKey of 2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is OZSUZNRUWVEWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-12-4-2-1-3-11(12)15-20-19-14(21-15)10-7-17-13(18-8-10)9-5-6-9/h1-4,7-9H,5-6H2.
What are the key properties of 2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 282.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).