1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone

C15H10FNO2 — CID 2768915

IUPAC1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone
SMILESCC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H10FNO2/c1-9(18)11-4-7-14-13(8-11)15(19-17-14)10-2-5-12(16)6-3-10/h2-8H,1H3
InChIKeyLDAYCTPDUCDKED-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.84
Rot. Bonds2

About 1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone

1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone (PubChem CID 2768915) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone
PubChem CID2768915
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone
SMILESCC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H10FNO2/c1-9(18)11-4-7-14-13(8-11)15(19-17-14)10-2-5-12(16)6-3-10/h2-8H,1H3
InChIKeyLDAYCTPDUCDKED-UHFFFAOYSA-N
XLogP3.84
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-benzo[c]isoxazole-5-carboxylic acid
CID 644438
3-Phenyl-2,1-benzoxazole-5-carbaldehyde
CID 738010
3-(4-Chlorophenyl)benzo[c]isoxazole-5-carbaldehyde
CID 738011
CID 164887496
CID 164887496
3-(3,5-Dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 168294215
(2E)-3-(3-phenylbenzo[c]isoxazol-5-yl)prop-2-enoic acid
CID 2517760
1-[3-(4-Methylphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
CID 3569182
1-[3-(3-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
CID 3754737
3-(3-Fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole
CID 4522027
3-(4-Methylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 17015159
3-(p-Tolyl)benzo[c]isoxazole-5-carbaldehyde
CID 2764245
1-[3-(4-Chlorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
CID 2765342

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone (CID 2768915) is 1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone is CC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone?
The InChIKey is LDAYCTPDUCDKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c1-9(18)11-4-7-14-13(8-11)15(19-17-14)10-2-5-12(16)6-3-10/h2-8H,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone?
1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone has a molecular weight of 255.25 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]ethanone is sourced from PubChem (CID 2768915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).