3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole

C31H23N3O2 — CID 155522237

IUPAC3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole
SMILESc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3-c3cc(-c4ccccc4)no3)cc2)cc1
InChIInChI=1S/C31H23N3O2/c1-4-10-23(11-5-1)22-35-27-18-16-25(17-19-27)31-28(21-34(32-31)26-14-8-3-9-15-26)30-20-29(33-36-30)24-12-6-2-7-13-24/h1-21H,22H2
InChIKeyJOQSPFUULWBKLC-UHFFFAOYSA-N
MW469.54 g/mol
LogP7.44
Rot. Bonds7

About 3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole

3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole (PubChem CID 155522237) has the molecular formula C31H23N3O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole
PubChem CID155522237
Molecular FormulaC31H23N3O2
Molecular Weight469.54 g/mol
Exact Mass469.18
IUPAC Name3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole
SMILESc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3-c3cc(-c4ccccc4)no3)cc2)cc1
InChIInChI=1S/C31H23N3O2/c1-4-10-23(11-5-1)22-35-27-18-16-25(17-19-27)31-28(21-34(32-31)26-14-8-3-9-15-26)30-20-29(33-36-30)24-12-6-2-7-13-24/h1-21H,22H2
InChIKeyJOQSPFUULWBKLC-UHFFFAOYSA-N
XLogP7.44
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole (CID 155522237) is 3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole is c1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3-c3cc(-c4ccccc4)no3)cc2)cc1.
What is the InChIKey of 3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole?
The InChIKey is JOQSPFUULWBKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O2/c1-4-10-23(11-5-1)22-35-27-18-16-25(17-19-27)31-28(21-34(32-31)26-14-8-3-9-15-26)30-20-29(33-36-30)24-12-6-2-7-13-24/h1-21H,22H2.
What are the key properties of 3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole?
3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole has a molecular weight of 469.54 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 155522237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).