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

C23H16FN3O2 — CID 73053150

IUPAC3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole
SMILESCOc1ccc(-n2nccc2-c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C23H16FN3O2/c1-28-19-9-7-18(8-10-19)27-22(12-13-25-27)16-4-11-21-20(14-16)23(29-26-21)15-2-5-17(24)6-3-15/h2-14H,1H3
InChIKeyVEMPOXLRCZEVQV-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.50
Rot. Bonds4

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

3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole (PubChem CID 73053150) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole
PubChem CID73053150
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Name3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole
SMILESCOc1ccc(-n2nccc2-c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C23H16FN3O2/c1-28-19-9-7-18(8-10-19)27-22(12-13-25-27)16-4-11-21-20(14-16)23(29-26-21)15-2-5-17(24)6-3-15/h2-14H,1H3
InChIKeyVEMPOXLRCZEVQV-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

3-(3-methylisoxazol-5-yl)-5H-indazolo[3,2-b]benzo[d][1,3]oxazine
CID 23640909
3-(3-propylisoxazol-5-yl)-5H-indazolo[3,2-b]benzo[d]-1,3-oxazine
CID 23640928
4-[1-[(4-Fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole
CID 155561786
N-[(E)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylindazol-2-ium-5-carboxamide
CID 9687773
3-(3-ethylisoxazol-5-yl)-5H-indazolo[3,2-b]benzo[d][1,3]oxazine
CID 23640910
3-Phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole
CID 155522237
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 16764469
3-[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,2-oxazole
CID 45272166
5-fluoro-3-(1-phenyl-1H-pyrazol-4-yl)benzo[d]isoxazole
CID 22333346
3-(3-(4-Fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)-5-phenylisoxazole
CID 154702091
3-(3-(4-Fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)-5-(p-tolyl)isoxazole
CID 154702101
5-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)isoxazole
CID 154702113

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole (CID 73053150) is 3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole is COc1ccc(-n2nccc2-c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole?
The InChIKey is VEMPOXLRCZEVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2/c1-28-19-9-7-18(8-10-19)27-22(12-13-25-27)16-4-11-21-20(14-16)23(29-26-21)15-2-5-17(24)6-3-15/h2-14H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole?
3-(4-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-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)pyrazol-3-yl]-2,1-benzoxazole is sourced from PubChem (CID 73053150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).