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

C24H16ClN3O — CID 45268761

IUPAC3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C24H16ClN3O/c25-19-13-11-18(12-14-19)24-21(16-28(26-24)20-9-5-2-6-10-20)22-15-23(29-27-22)17-7-3-1-4-8-17/h1-16H
InChIKeyMBKJDGGACGQYIZ-UHFFFAOYSA-N
MW397.87 g/mol
LogP6.51
Rot. Bonds4

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

3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole (PubChem CID 45268761) has the molecular formula C24H16ClN3O and a molecular weight of 397.87 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
PubChem CID45268761
Molecular FormulaC24H16ClN3O
Molecular Weight397.87 g/mol
Exact Mass397.10
IUPAC Name3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C24H16ClN3O/c25-19-13-11-18(12-14-19)24-21(16-28(26-24)20-9-5-2-6-10-20)22-15-23(29-27-22)17-7-3-1-4-8-17/h1-16H
InChIKeyMBKJDGGACGQYIZ-UHFFFAOYSA-N
XLogP6.51
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.87
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 24894145
3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580252
3-(4-Chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole
CID 155514659
(4-Chlorophenyl)-[5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrazol-1-yl]methanone
CID 2745581
6-(4-Chlorophenyl)-1,8-dimethyl-4,8-dihydroisoxazolo[5,4-c]pyrazolo[4,3-e]azepine
CID 57405437
3-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
CID 45268757
3-[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
CID 45272166
5-Butyl-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole
CID 45273017
3-(4-Chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
CID 127038249
3-(2-Chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
CID 127038690
3-(2,4-Dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
CID 127041853
3-(2,6-Dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
CID 127041855

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole (CID 45268761) is 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole is Clc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
The InChIKey is MBKJDGGACGQYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O/c25-19-13-11-18(12-14-19)24-21(16-28(26-24)20-9-5-2-6-10-20)22-15-23(29-27-22)17-7-3-1-4-8-17/h1-16H.
What are the key properties of 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole?
3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole has a molecular weight of 397.87 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 45268761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).