5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole

C19H16N4O — CID 2740682

IUPAC5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(C)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H16N4O/c1-13-17(14(2)23(21-13)16-11-7-4-8-12-16)19-20-18(22-24-19)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKeyDVVFUZHKPZNPGU-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.21
Rot. Bonds3

About 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole

5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 2740682) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID2740682
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(C)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H16N4O/c1-13-17(14(2)23(21-13)16-11-7-4-8-12-16)19-20-18(22-24-19)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKeyDVVFUZHKPZNPGU-UHFFFAOYSA-N
XLogP4.21
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole (CID 2740682) is 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole is Cc1nn(-c2ccccc2)c(C)c1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is DVVFUZHKPZNPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-17(14(2)23(21-13)16-11-7-4-8-12-16)19-20-18(22-24-19)15-9-5-3-6-10-15/h3-12H,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole?
5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 316.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2740682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).