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

C25H18FN3O2 — CID 154702118

IUPAC3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole
SMILESCOc1cccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C25H18FN3O2/c1-30-21-9-5-6-18(14-21)24-15-23(28-31-24)22-16-29(20-7-3-2-4-8-20)27-25(22)17-10-12-19(26)13-11-17/h2-16H,1H3
InChIKeyDDWVUVLVRJEMMO-UHFFFAOYSA-N
MW411.44 g/mol
LogP6.01
Rot. Bonds5

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

3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole (PubChem CID 154702118) has the molecular formula C25H18FN3O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole
PubChem CID154702118
Molecular FormulaC25H18FN3O2
Molecular Weight411.44 g/mol
Exact Mass411.14
IUPAC Name3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole
SMILESCOc1cccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C25H18FN3O2/c1-30-21-9-5-6-18(14-21)24-15-23(28-31-24)22-16-29(20-7-3-2-4-8-20)27-25(22)17-10-12-19(26)13-11-17/h2-16H,1H3
InChIKeyDDWVUVLVRJEMMO-UHFFFAOYSA-N
XLogP6.01
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole (CID 154702118) is 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole is COc1cccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)no2)c1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole?
The InChIKey is DDWVUVLVRJEMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2/c1-30-21-9-5-6-18(14-21)24-15-23(28-31-24)22-16-29(20-7-3-2-4-8-20)27-25(22)17-10-12-19(26)13-11-17/h2-16H,1H3.
What are the key properties of 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole?
3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole has a molecular weight of 411.44 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 154702118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).