5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole

C15H16N4O — CID 72893216

IUPAC5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(Cc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C15H16N4O/c1-10-14(9-15-16-12(3)18-20-15)11(2)19(17-10)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3
InChIKeyJDHXFTGHUWQSFX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.77
Rot. Bonds3

About 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole

5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 72893216) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID72893216
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(Cc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C15H16N4O/c1-10-14(9-15-16-12(3)18-20-15)11(2)19(17-10)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3
InChIKeyJDHXFTGHUWQSFX-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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)methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole (CID 72893216) is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(Cc2c(C)nn(-c3ccccc3)c2C)n1.
What is the InChIKey of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is JDHXFTGHUWQSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-14(9-15-16-12(3)18-20-15)11(2)19(17-10)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3.
What are the key properties of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole?
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 268.32 g/mol, XLogP of 2.77, 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)methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 72893216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).