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

C23H16FN3O2 — CID 73052847

IUPAC5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
SMILESCOc1ccc(-c2onc3ccc(-c4ccnn4-c4ccccc4F)cc23)cc1
InChIInChI=1S/C23H16FN3O2/c1-28-17-9-6-15(7-10-17)23-18-14-16(8-11-20(18)26-29-23)21-12-13-25-27(21)22-5-3-2-4-19(22)24/h2-14H,1H3
InChIKeyIEHXYWSSVXIHFW-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.50
Rot. Bonds4

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

5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole (PubChem CID 73052847) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
PubChem CID73052847
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Name5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
SMILESCOc1ccc(-c2onc3ccc(-c4ccnn4-c4ccccc4F)cc23)cc1
InChIInChI=1S/C23H16FN3O2/c1-28-17-9-6-15(7-10-17)23-18-14-16(8-11-20(18)26-29-23)21-12-13-25-27(21)22-5-3-2-4-19(22)24/h2-14H,1H3
InChIKeyIEHXYWSSVXIHFW-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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Related Compounds

5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
CID 73053002
3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
CID 90031250
3-(4-chlorophenyl)-5-(2-phenylpyrazol-3-yl)-2,1-benzoxazole
CID 2765354
5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole
CID 73053293
3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
CID 73053004
5-[1-(4-fluorophenyl)azet-1-ium-2-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
CID 123624046
1-(2-fluorophenyl)-5-(2-methoxyphenyl)pyrazole
CID 15956824
3,5-diphenyl-2,1-benzoxazole
CID 15446367
1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole
CID 90030830
5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
CID 22171007
1-(2-fluorophenyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4621146
1,5-bis(4-methoxyphenyl)pyrazole
CID 57058186

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole?
The IUPAC name of 5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole (CID 73052847) is 5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole.
What is the SMILES notation for 5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole?
The canonical SMILES for 5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole is COc1ccc(-c2onc3ccc(-c4ccnn4-c4ccccc4F)cc23)cc1.
What is the InChIKey of 5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole?
The InChIKey is IEHXYWSSVXIHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2/c1-28-17-9-6-15(7-10-17)23-18-14-16(8-11-20(18)26-29-23)21-12-13-25-27(21)22-5-3-2-4-19(22)24/h2-14H,1H3.
What are the key properties of 5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole?
5-[2-(2-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-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole is sourced from PubChem (CID 73052847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).