methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate

C7H9NO4 — CID 131265035

IUPACmethyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1cnc(C(C)O)o1
InChIInChI=1S/C7H9NO4/c1-4(9)6-8-3-5(12-6)7(10)11-2/h3-4,9H,1-2H3
InChIKeyIUJDIIYGXDPTHQ-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.51
Rot. Bonds2

About methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate

methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate (PubChem CID 131265035) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate
PubChem CID131265035
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1cnc(C(C)O)o1
InChIInChI=1S/C7H9NO4/c1-4(9)6-8-3-5(12-6)7(10)11-2/h3-4,9H,1-2H3
InChIKeyIUJDIIYGXDPTHQ-UHFFFAOYSA-N
XLogP0.51
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethyl-1,3-oxazole-5-carboxylate
CID 118990037
methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate
CID 105441021
1-(5-ethoxy-1,3-oxazol-2-yl)ethanol
CID 45090957
2-(dichloromethyl)-1,3-oxazole-5-carboxylic acid
CID 127020814
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
2-pentan-3-yl-1,3-oxazole-5-carboxamide
CID 156643927
methyl 5-propan-2-yl-1,3,4-oxadiazole-2-carboxylate
CID 112618977
2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid
CID 83853063
methyl 5-(1-hydroxy-4-methylpentyl)furan-2-carboxylate
CID 106947046
[(1S)-1-(5-methoxycarbonylfuran-2-yl)ethyl]-trimethylazanium
CID 919267
methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate
CID 45356738

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate (CID 131265035) is methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate is COC(=O)c1cnc(C(C)O)o1.
What is the InChIKey of methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is IUJDIIYGXDPTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4(9)6-8-3-5(12-6)7(10)11-2/h3-4,9H,1-2H3.
What are the key properties of methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate?
methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 171.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 131265035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).