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

C15H16N4O — CID 2744340

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCCn1nc(C)cc1-c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C15H16N4O/c1-4-19-13(9-11(3)18-19)15-17-16-14(20-15)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKeyIHWDRLRKSDLWCY-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.24
Rot. Bonds3

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

2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 2744340) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID2744340
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCCn1nc(C)cc1-c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C15H16N4O/c1-4-19-13(9-11(3)18-19)15-17-16-14(20-15)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKeyIHWDRLRKSDLWCY-UHFFFAOYSA-N
XLogP3.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 2744340) is 2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is CCn1nc(C)cc1-c1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is IHWDRLRKSDLWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-4-19-13(9-11(3)18-19)15-17-16-14(20-15)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 268.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2744340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).