3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C14H14N4O — CID 8520597

IUPAC3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCC(C)c1cc(-c2nc(-c3ccccc3)no2)n[nH]1
InChIInChI=1S/C14H14N4O/c1-9(2)11-8-12(17-16-11)14-15-13(18-19-14)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
InChIKeyVOGRNKAQSNUPFY-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.25
Rot. Bonds3

About 3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 8520597) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID8520597
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCC(C)c1cc(-c2nc(-c3ccccc3)no2)n[nH]1
InChIInChI=1S/C14H14N4O/c1-9(2)11-8-12(17-16-11)14-15-13(18-19-14)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
InChIKeyVOGRNKAQSNUPFY-UHFFFAOYSA-N
XLogP3.25
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 8520597) is 3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is CC(C)c1cc(-c2nc(-c3ccccc3)no2)n[nH]1.
What is the InChIKey of 3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is VOGRNKAQSNUPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(2)11-8-12(17-16-11)14-15-13(18-19-14)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17).
What are the key properties of 3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 8520597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).