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

C23H16FN3O — CID 73053004

IUPAC3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
SMILESCc1ccc(-n2nccc2-c2ccc3noc(-c4cccc(F)c4)c3c2)cc1
InChIInChI=1S/C23H16FN3O/c1-15-5-8-19(9-6-15)27-22(11-12-25-27)16-7-10-21-20(14-16)23(28-26-21)17-3-2-4-18(24)13-17/h2-14H,1H3
InChIKeyJPBXZNZIJJJYSP-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.80
Rot. Bonds3

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

3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole (PubChem CID 73053004) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
PubChem CID73053004
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
SMILESCc1ccc(-n2nccc2-c2ccc3noc(-c4cccc(F)c4)c3c2)cc1
InChIInChI=1S/C23H16FN3O/c1-15-5-8-19(9-6-15)27-22(11-12-25-27)16-7-10-21-20(14-16)23(28-26-21)17-3-2-4-18(24)13-17/h2-14H,1H3
InChIKeyJPBXZNZIJJJYSP-UHFFFAOYSA-N
XLogP5.80
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole
CID 73053293
5-[2-(4-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
CID 73053002
3-(4-chlorophenyl)-5-(2-phenylpyrazol-3-yl)-2,1-benzoxazole
CID 2765354
3-(3,4-difluorophenyl)-5-[2-(2-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
CID 90031250
5-[2-(2-fluorophenyl)pyrazol-3-yl]-3-(4-methoxyphenyl)-2,1-benzoxazole
CID 73052847
1-(3-fluorophenyl)-5-[3-(4-fluorophenyl)phenyl]pyrazole
CID 174813852
3-(3-fluorophenyl)-5-[1-(4-fluorophenyl)azet-1-ium-2-yl]-2,1-benzoxazole
CID 123281341
1-[3-(3-fluorophenyl)-2,1-benzoxazol-5-yl]-3-(4-methylanilino)prop-2-en-1-one
CID 1491617
4-[5-(4-methylphenyl)pyrazol-1-yl]aniline
CID 142934716
4-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine
CID 56956145
1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole
CID 90030830
2-chloro-4-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine
CID 118555324

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The IUPAC name of 3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole (CID 73053004) is 3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole is Cc1ccc(-n2nccc2-c2ccc3noc(-c4cccc(F)c4)c3c2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The InChIKey is JPBXZNZIJJJYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c1-15-5-8-19(9-6-15)27-22(11-12-25-27)16-7-10-21-20(14-16)23(28-26-21)17-3-2-4-18(24)13-17/h2-14H,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole?
3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole has a molecular weight of 369.40 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole is sourced from PubChem (CID 73053004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).