1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone

C10H13NO3 — CID 115083047

IUPAC1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(CC2CCCO2)n1
InChIInChI=1S/C10H13NO3/c1-7(12)9-6-14-10(11-9)5-8-3-2-4-13-8/h6,8H,2-5H2,1H3
InChIKeyLWWMZLIMOXEGBG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.60
Rot. Bonds3

About 1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone

1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 115083047) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone
PubChem CID115083047
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(CC2CCCO2)n1
InChIInChI=1S/C10H13NO3/c1-7(12)9-6-14-10(11-9)5-8-3-2-4-13-8/h6,8H,2-5H2,1H3
InChIKeyLWWMZLIMOXEGBG-UHFFFAOYSA-N
XLogP1.60
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol
CID 115083248
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
CID 62234263
2-[[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4569568
1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone
CID 115081953
2-(oxan-4-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082568
2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 176989327
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090785
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156748
2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4676546
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
2-(oxolan-2-ylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358357
5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 165447270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone (CID 115083047) is 1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone is CC(=O)c1coc(CC2CCCO2)n1.
What is the InChIKey of 1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is LWWMZLIMOXEGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(12)9-6-14-10(11-9)5-8-3-2-4-13-8/h6,8H,2-5H2,1H3.
What are the key properties of 1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone?
1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 195.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 115083047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).