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

C15H10FNO2 — CID 82299124

IUPAC1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
SMILESCC(=O)c1ccc2oc(-c3ccccc3F)nc2c1
InChIInChI=1S/C15H10FNO2/c1-9(18)10-6-7-14-13(8-10)17-15(19-14)11-4-2-3-5-12(11)16/h2-8H,1H3
InChIKeyJZVOSCAKSINITM-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.84
Rot. Bonds2

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

1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone (PubChem CID 82299124) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
PubChem CID82299124
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
SMILESCC(=O)c1ccc2oc(-c3ccccc3F)nc2c1
InChIInChI=1S/C15H10FNO2/c1-9(18)10-6-7-14-13(8-10)17-15(19-14)11-4-2-3-5-12(11)16/h2-8H,1H3
InChIKeyJZVOSCAKSINITM-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-(2-chlorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 95474684
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 23793460
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299125
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129283536
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3237758
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
CID 19630286
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357625
3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5346346
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone (CID 82299124) is 1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone is CC(=O)c1ccc2oc(-c3ccccc3F)nc2c1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone?
The InChIKey is JZVOSCAKSINITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c1-9(18)10-6-7-14-13(8-10)17-15(19-14)11-4-2-3-5-12(11)16/h2-8H,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone?
1-[2-(2-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-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone is sourced from PubChem (CID 82299124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).