2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole

C25H20N4O2 — CID 72947283

IUPAC2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3c(-c4ccccc4)nn(-c4ccccc4)c3C)o2)cc1
InChIInChI=1S/C25H20N4O2/c1-17-22(25-27-26-24(31-25)19-13-15-21(30-2)16-14-19)23(18-9-5-3-6-10-18)28-29(17)20-11-7-4-8-12-20/h3-16H,1-2H3
InChIKeyUGQHHEYONMSNCG-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.57
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole (PubChem CID 72947283) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole
PubChem CID72947283
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3c(-c4ccccc4)nn(-c4ccccc4)c3C)o2)cc1
InChIInChI=1S/C25H20N4O2/c1-17-22(25-27-26-24(31-25)19-13-15-21(30-2)16-14-19)23(18-9-5-3-6-10-18)28-29(17)20-11-7-4-8-12-20/h3-16H,1-2H3
InChIKeyUGQHHEYONMSNCG-UHFFFAOYSA-N
XLogP5.57
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole (CID 72947283) is 2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3c(-c4ccccc4)nn(-c4ccccc4)c3C)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is UGQHHEYONMSNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-17-22(25-27-26-24(31-25)19-13-15-21(30-2)16-14-19)23(18-9-5-3-6-10-18)28-29(17)20-11-7-4-8-12-20/h3-16H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 408.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 72947283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).