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

C23H16FN3O2 — CID 73053002

IUPAC5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
SMILESCOc1ccc(-c2onc3ccc(-c4ccnn4-c4ccc(F)cc4)cc23)cc1
InChIInChI=1S/C23H16FN3O2/c1-28-19-9-2-15(3-10-19)23-20-14-16(4-11-21(20)26-29-23)22-12-13-25-27(22)18-7-5-17(24)6-8-18/h2-14H,1H3
InChIKeyMZDNLISHXFNCQD-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.50
Rot. Bonds4

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

5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole (PubChem CID 73053002) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
PubChem CID73053002
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Name5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
SMILESCOc1ccc(-c2onc3ccc(-c4ccnn4-c4ccc(F)cc4)cc23)cc1
InChIInChI=1S/C23H16FN3O2/c1-28-19-9-2-15(3-10-19)23-20-14-16(4-11-21(20)26-29-23)22-12-13-25-27(22)18-7-5-17(24)6-8-18/h2-14H,1H3
InChIKeyMZDNLISHXFNCQD-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 5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole?
The IUPAC name of 5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole (CID 73053002) is 5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole.
What is the SMILES notation for 5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole?
The canonical SMILES for 5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole is COc1ccc(-c2onc3ccc(-c4ccnn4-c4ccc(F)cc4)cc23)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole?
The InChIKey is MZDNLISHXFNCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2/c1-28-19-9-2-15(3-10-19)23-20-14-16(4-11-21(20)26-29-23)22-12-13-25-27(22)18-7-5-17(24)6-8-18/h2-14H,1H3.
What are the key properties of 5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole?
5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-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 5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole is sourced from PubChem (CID 73053002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).