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

C16H14N4O — CID 99962691

IUPAC2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cnc(C4CC4)nc3)o2)cc1
InChIInChI=1S/C16H14N4O/c1-10-2-4-12(5-3-10)15-19-20-16(21-15)13-8-17-14(18-9-13)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3
InChIKeyIJSRAQYNAWPONC-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.38
Rot. Bonds3

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

2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 99962691) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID99962691
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cnc(C4CC4)nc3)o2)cc1
InChIInChI=1S/C16H14N4O/c1-10-2-4-12(5-3-10)15-19-20-16(21-15)13-8-17-14(18-9-13)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3
InChIKeyIJSRAQYNAWPONC-UHFFFAOYSA-N
XLogP3.38
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.38
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-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 99962691) is 2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cnc(C4CC4)nc3)o2)cc1.
What is the InChIKey of 2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is IJSRAQYNAWPONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-2-4-12(5-3-10)15-19-20-16(21-15)13-8-17-14(18-9-13)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 278.31 g/mol, XLogP of 3.38, 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-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).