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

C15H10FNO2 — CID 82299125

IUPAC1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
SMILESCC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C15H10FNO2/c1-9(18)10-5-6-14-13(8-10)17-15(19-14)11-3-2-4-12(16)7-11/h2-8H,1H3
InChIKeyLISAJYVXPNNRJZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.84
Rot. Bonds2

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

1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone (PubChem CID 82299125) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
PubChem CID82299125
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
SMILESCC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C15H10FNO2/c1-9(18)10-5-6-14-13(8-10)17-15(19-14)11-3-2-4-12(16)7-11/h2-8H,1H3
InChIKeyLISAJYVXPNNRJZ-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

1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82305496
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 162432808
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
2-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42518502
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299124
2-(3-fluorophenyl)-1,3-benzoxazole-5-sulfinic acid
CID 174517894
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
CID 21211890
2-(3-fluorophenyl)-5-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]sulfanyl]-1,3-benzoxazole
CID 141112890
2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91676646
2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide
CID 26336754
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(3-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 97280636
(2S)-1-[2-(3-fluorophenyl)-1,3-benzoxazole-5-carbonyl]-2-methyl-1,4-diazepan-5-one
CID 97276709

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone (CID 82299125) is 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone is CC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone?
The InChIKey is LISAJYVXPNNRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c1-9(18)10-5-6-14-13(8-10)17-15(19-14)11-3-2-4-12(16)7-11/h2-8H,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone?
1-[2-(3-fluorophenyl)-1,3-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-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone is sourced from PubChem (CID 82299125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).