ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate

C8H11NO4 — CID 10679077

IUPACethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CO)noc1C
InChIInChI=1S/C8H11NO4/c1-3-12-8(11)7-5(2)13-9-6(7)4-10/h10H,3-4H2,1-2H3
InChIKeyYEJLCENFADMRTA-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.65
Rot. Bonds3

About ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate

ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 10679077) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID10679077
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CO)noc1C
InChIInChI=1S/C8H11NO4/c1-3-12-8(11)7-5(2)13-9-6(7)4-10/h10H,3-4H2,1-2H3
InChIKeyYEJLCENFADMRTA-UHFFFAOYSA-N
XLogP0.65
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 10679077) is ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(CO)noc1C.
What is the InChIKey of ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is YEJLCENFADMRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-3-12-8(11)7-5(2)13-9-6(7)4-10/h10H,3-4H2,1-2H3.
What are the key properties of ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate?
ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 185.18 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 10679077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).