3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole

C20H16N4O — CID 71842832

IUPAC3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
SMILESCn1nccc1-c1cccc(-c2noc(C=Cc3ccccc3)n2)c1
InChIInChI=1S/C20H16N4O/c1-24-18(12-13-21-24)16-8-5-9-17(14-16)20-22-19(25-23-20)11-10-15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyDOCRBEVQUAYYQE-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.31
Rot. Bonds4

About 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole

3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole (PubChem CID 71842832) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
PubChem CID71842832
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
SMILESCn1nccc1-c1cccc(-c2noc(C=Cc3ccccc3)n2)c1
InChIInChI=1S/C20H16N4O/c1-24-18(12-13-21-24)16-8-5-9-17(14-16)20-22-19(25-23-20)11-10-15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyDOCRBEVQUAYYQE-UHFFFAOYSA-N
XLogP4.31
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole (CID 71842832) is 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole is Cn1nccc1-c1cccc(-c2noc(C=Cc3ccccc3)n2)c1.
What is the InChIKey of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The InChIKey is DOCRBEVQUAYYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-24-18(12-13-21-24)16-8-5-9-17(14-16)20-22-19(25-23-20)11-10-15-6-3-2-4-7-15/h2-14H,1H3.
What are the key properties of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole?
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole has a molecular weight of 328.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71842832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).