2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

C12H17NO5 — CID 114106019

IUPAC2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCCC1OCCC1c1nc(COC)c(C(=O)O)o1
InChIInChI=1S/C12H17NO5/c1-3-9-7(4-5-17-9)11-13-8(6-16-2)10(18-11)12(14)15/h7,9H,3-6H2,1-2H3,(H,14,15)
InChIKeyJKZCXBIREWJATI-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.80
Rot. Bonds5

About 2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114106019) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114106019
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCCC1OCCC1c1nc(COC)c(C(=O)O)o1
InChIInChI=1S/C12H17NO5/c1-3-9-7(4-5-17-9)11-13-8(6-16-2)10(18-11)12(14)15/h7,9H,3-6H2,1-2H3,(H,14,15)
InChIKeyJKZCXBIREWJATI-UHFFFAOYSA-N
XLogP1.80
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid
CID 114373903
Ethyl 2-(cyclopentylmethyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 65710035
2-(2-Hydroxyoctyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 13835302
4-(Difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 103198830
4-(Difluoromethyl)-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 103198884
4-(Difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 103198893
4-(Difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
CID 103198945
4-(Difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
CID 103198978
4-(Difluoromethyl)-2-(3-methoxybutyl)-1,3-oxazole-5-carboxylic acid
CID 103199059
4-(Difluoromethyl)-2-(5-methyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 103199060
Ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate
CID 103199080
Ethyl 4-(difluoromethyl)-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylate
CID 103199122

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (CID 114106019) is 2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is CCC1OCCC1c1nc(COC)c(C(=O)O)o1.
What is the InChIKey of 2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is JKZCXBIREWJATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-3-9-7(4-5-17-9)11-13-8(6-16-2)10(18-11)12(14)15/h7,9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114106019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).