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

C25H19N3O2 — CID 45272166

IUPAC3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C25H19N3O2/c1-29-21-14-12-19(13-15-21)25-22(17-28(26-25)20-10-6-3-7-11-20)23-16-24(30-27-23)18-8-4-2-5-9-18/h2-17H,1H3
InChIKeySTFIVZWZZUBCEC-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.87
Rot. Bonds5

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

3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole (PubChem CID 45272166) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
PubChem CID45272166
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C25H19N3O2/c1-29-21-14-12-19(13-15-21)25-22(17-28(26-25)20-10-6-3-7-11-20)23-16-24(30-27-23)18-8-4-2-5-9-18/h2-17H,1H3
InChIKeySTFIVZWZZUBCEC-UHFFFAOYSA-N
XLogP5.87
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 57945012
methyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 740223
4-nitrophenyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
CID 1284989
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 1316388
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-nitrobenzamide
CID 2091029
3-(4-methoxyphenyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 6900122
(1-isoxazol-3-ylethyl){[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}methylamine
CID 16189977
(isoxazol-5-ylmethyl){[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}methylamine
CID 16190736
(1-isoxazol-3-ylethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190753

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole (CID 45272166) is 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
The InChIKey is STFIVZWZZUBCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-29-21-14-12-19(13-15-21)25-22(17-28(26-25)20-10-6-3-7-11-20)23-16-24(30-27-23)18-8-4-2-5-9-18/h2-17H,1H3.
What are the key properties of 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole has a molecular weight of 393.45 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 45272166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).