2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid

C14H15NO6 — CID 15440092

IUPAC2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid
SMILESCC(=O)OCC1CC(c2ccccc2OCC(=O)O)=NO1
InChIInChI=1S/C14H15NO6/c1-9(16)19-7-10-6-12(15-21-10)11-4-2-3-5-13(11)20-8-14(17)18/h2-5,10H,6-8H2,1H3,(H,17,18)
InChIKeyFJXPLFFXHODXCP-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.21
Rot. Bonds6

About 2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid

2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid (PubChem CID 15440092) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid
PubChem CID15440092
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid
SMILESCC(=O)OCC1CC(c2ccccc2OCC(=O)O)=NO1
InChIInChI=1S/C14H15NO6/c1-9(16)19-7-10-6-12(15-21-10)11-4-2-3-5-13(11)20-8-14(17)18/h2-5,10H,6-8H2,1H3,(H,17,18)
InChIKeyFJXPLFFXHODXCP-UHFFFAOYSA-N
XLogP1.21
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl 4-nitrobenzoate
CID 2815773
3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid
CID 136671941
4-[[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxylic acid
CID 92601426
[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl 3,4,5-trimethoxybenzoate
CID 1256400
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
(5S)-N,N-dibenzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095200
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl 5-chloro-2-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]benzoate
CID 4892149
ethyl 4-[benzyl-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-4-oxobutanoate
CID 7356159
2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456450
bis[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl] pyridine-2,6-dicarboxylate
CID 2815796
N-benzyl-4-fluoro-N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 42789979
1-benzyl-3-tert-butyl-1-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42790373

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid (CID 15440092) is 2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid is CC(=O)OCC1CC(c2ccccc2OCC(=O)O)=NO1.
What is the InChIKey of 2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid?
The InChIKey is FJXPLFFXHODXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-9(16)19-7-10-6-12(15-21-10)11-4-2-3-5-13(11)20-8-14(17)18/h2-5,10H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid?
2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid has a molecular weight of 293.28 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid is sourced from PubChem (CID 15440092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).