2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole

C24H18N4O2 — CID 46934257

IUPAC2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H18N4O2/c1-29-20-14-12-17(13-15-20)22-21(16-28(27-22)19-10-6-3-7-11-19)24-26-25-23(30-24)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyUBWFFJHKALEWCC-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.26
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 46934257) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID46934257
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H18N4O2/c1-29-20-14-12-17(13-15-20)22-21(16-28(27-22)19-10-6-3-7-11-19)24-26-25-23(30-24)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyUBWFFJHKALEWCC-UHFFFAOYSA-N
XLogP5.26
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 46934257) is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is UBWFFJHKALEWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-29-20-14-12-17(13-15-20)22-21(16-28(27-22)19-10-6-3-7-11-19)24-26-25-23(30-24)18-8-4-2-5-9-18/h2-16H,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 394.43 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 46934257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).