3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole

C23H16FN3O2 — CID 73053151

IUPAC3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole
SMILESCOc1ccc(-n2nccc2-c2ccc3noc(-c4cccc(F)c4)c3c2)cc1
InChIInChI=1S/C23H16FN3O2/c1-28-19-8-6-18(7-9-19)27-22(11-12-25-27)15-5-10-21-20(14-15)23(29-26-21)16-3-2-4-17(24)13-16/h2-14H,1H3
InChIKeyOIHDICZQACCKAO-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.50
Rot. Bonds4

About 3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole

3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole (PubChem CID 73053151) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole
PubChem CID73053151
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Name3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole
SMILESCOc1ccc(-n2nccc2-c2ccc3noc(-c4cccc(F)c4)c3c2)cc1
InChIInChI=1S/C23H16FN3O2/c1-28-19-8-6-18(7-9-19)27-22(11-12-25-27)15-5-10-21-20(14-15)23(29-26-21)16-3-2-4-17(24)13-16/h2-14H,1H3
InChIKeyOIHDICZQACCKAO-UHFFFAOYSA-N
XLogP5.50
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The IUPAC name of 3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole (CID 73053151) is 3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole is COc1ccc(-n2nccc2-c2ccc3noc(-c4cccc(F)c4)c3c2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The InChIKey is OIHDICZQACCKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2/c1-28-19-8-6-18(7-9-19)27-22(11-12-25-27)15-5-10-21-20(14-15)23(29-26-21)16-3-2-4-17(24)13-16/h2-14H,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole?
3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole has a molecular weight of 385.40 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole is sourced from PubChem (CID 73053151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).