5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole

C16H10FN3O — CID 22333346

IUPAC5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
SMILESFc1ccc2onc(-c3cnn(-c4ccccc4)c3)c2c1
InChIInChI=1S/C16H10FN3O/c17-12-6-7-15-14(8-12)16(19-21-15)11-9-18-20(10-11)13-4-2-1-3-5-13/h1-10H
InChIKeyUCWGRRBYLCMQJK-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.82
Rot. Bonds2

About 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole

5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole (PubChem CID 22333346) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
PubChem CID22333346
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
SMILESFc1ccc2onc(-c3cnn(-c4ccccc4)c3)c2c1
InChIInChI=1S/C16H10FN3O/c17-12-6-7-15-14(8-12)16(19-21-15)11-9-18-20(10-11)13-4-2-1-3-5-13/h1-10H
InChIKeyUCWGRRBYLCMQJK-UHFFFAOYSA-N
XLogP3.82
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-(1-(6-(1-methyl-1 H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)benzo[d]isoxazole
CID 71585294
6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1-methyl-6,7-dihydro-5H-indazol-4-one
CID 44441219
5-Fluoro-3-[1-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]-1,2-benzoxazole
CID 89628036
5-Fluoro-3-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]-1,2-benzoxazole
CID 89628037
3-[1-[6-(1-Ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-5-fluoro-1,2-benzoxazole
CID 117741493
US10889564, Example 28
CID 129104693
US10745401, Example 30
CID 146343555
4-[1,2-Dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134806482
3,5-Dimethyl-4-[1-methyl-4-(1-methylpyrazol-4-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole
CID 134807925
US10745401, Example 17
CID 146343546
US10745401, Example 130
CID 146641091
US10745401, Example 174
CID 146641145

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole?
The IUPAC name of 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole (CID 22333346) is 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole.
What is the SMILES notation for 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole?
The canonical SMILES for 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole is Fc1ccc2onc(-c3cnn(-c4ccccc4)c3)c2c1.
What is the InChIKey of 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole?
The InChIKey is UCWGRRBYLCMQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-12-6-7-15-14(8-12)16(19-21-15)11-9-18-20(10-11)13-4-2-1-3-5-13/h1-10H.
What are the key properties of 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole?
5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole has a molecular weight of 279.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole is sourced from PubChem (CID 22333346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).