1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone

C13H15NO3 — CID 130287442

IUPAC1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)C1=NOC(CCOc2ccccc2)C1
InChIInChI=1S/C13H15NO3/c1-10(15)13-9-12(17-14-13)7-8-16-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeyFFQLNAVQCGRZMW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.19
Rot. Bonds5

About 1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone

1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone (PubChem CID 130287442) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone
PubChem CID130287442
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)C1=NOC(CCOc2ccccc2)C1
InChIInChI=1S/C13H15NO3/c1-10(15)13-9-12(17-14-13)7-8-16-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeyFFQLNAVQCGRZMW-UHFFFAOYSA-N
XLogP2.19
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone
CID 15445658
N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 130275036
(5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole
CID 143838763
1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one
CID 15445662
1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone
CID 130287272
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
acetic acid;butoxybenzene
CID 162338086
(5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole
CID 98104680
2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid
CID 21109018
2-[(1R)-2-(2-phenoxyethyl)cyclopropyl]acetic acid
CID 142831319
N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 55863429

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone (CID 130287442) is 1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone is CC(=O)C1=NOC(CCOc2ccccc2)C1.
What is the InChIKey of 1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone?
The InChIKey is FFQLNAVQCGRZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10(15)13-9-12(17-14-13)7-8-16-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3.
What are the key properties of 1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone?
1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone has a molecular weight of 233.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 130287442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).