1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone

C14H14FNO3 — CID 71628485

IUPAC1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCc1c(C)noc1C
InChIInChI=1S/C14H14FNO3/c1-8-13(10(3)19-16-8)7-18-14-5-4-11(15)6-12(14)9(2)17/h4-6H,7H2,1-3H3
InChIKeySXBNOZRODCTFGN-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.21
Rot. Bonds4

About 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone

1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone (PubChem CID 71628485) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone
PubChem CID71628485
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCc1c(C)noc1C
InChIInChI=1S/C14H14FNO3/c1-8-13(10(3)19-16-8)7-18-14-5-4-11(15)6-12(14)9(2)17/h4-6H,7H2,1-3H3
InChIKeySXBNOZRODCTFGN-UHFFFAOYSA-N
XLogP3.21
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone
CID 117052461
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623167
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-fluorophenyl)-3-methoxybenzamide
CID 26086460
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 30479639
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 103988426
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 9097764
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
[2-(4-fluorophenyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2637493
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone (CID 71628485) is 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1OCc1c(C)noc1C.
What is the InChIKey of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone?
The InChIKey is SXBNOZRODCTFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-8-13(10(3)19-16-8)7-18-14-5-4-11(15)6-12(14)9(2)17/h4-6H,7H2,1-3H3.
What are the key properties of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone?
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone has a molecular weight of 263.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone is sourced from PubChem (CID 71628485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).