2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide

C13H13FN2O3 — CID 20906254

IUPAC2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
SMILESCNC(=O)COCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C13H13FN2O3/c1-15-13(17)8-18-7-11-6-12(19-16-11)9-2-4-10(14)5-3-9/h2-6H,7-8H2,1H3,(H,15,17)
InChIKeyNHLNUSYHYKKYFQ-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.74
Rot. Bonds5

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

2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide (PubChem CID 20906254) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
PubChem CID20906254
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
SMILESCNC(=O)COCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C13H13FN2O3/c1-15-13(17)8-18-7-11-6-12(19-16-11)9-2-4-10(14)5-3-9/h2-6H,7-8H2,1H3,(H,15,17)
InChIKeyNHLNUSYHYKKYFQ-UHFFFAOYSA-N
XLogP1.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254007
N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 46275206
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide
CID 20906258
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 50757777
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 17254128
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(3-phenylpropyl)acetamide
CID 17254071
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 20906265
methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate
CID 17254056
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254123
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 20906249
1-[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]piperidine-4-carboxamide
CID 20906225
1-(2,3-dihydroindol-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone
CID 17254087

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide (CID 20906254) is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide is CNC(=O)COCc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide?
The InChIKey is NHLNUSYHYKKYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-15-13(17)8-18-7-11-6-12(19-16-11)9-2-4-10(14)5-3-9/h2-6H,7-8H2,1H3,(H,15,17).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide?
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide has a molecular weight of 264.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide is sourced from PubChem (CID 20906254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).