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

C6H7NO4 — CID 10034860

IUPACmethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(CO)on1
InChIInChI=1S/C6H7NO4/c1-10-6(9)5-2-4(3-8)11-7-5/h2,8H,3H2,1H3
InChIKeyXUDZZTFUHHYXSE-UHFFFAOYSA-N
MW157.12 g/mol
LogP-0.05
Rot. Bonds2

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

methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate (PubChem CID 10034860) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
PubChem CID10034860
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Namemethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(CO)on1
InChIInChI=1S/C6H7NO4/c1-10-6(9)5-2-4(3-8)11-7-5/h2,8H,3H2,1H3
InChIKeyXUDZZTFUHHYXSE-UHFFFAOYSA-N
XLogP-0.05
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate (CID 10034860) is methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate is COC(=O)c1cc(CO)on1.
What is the InChIKey of methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is XUDZZTFUHHYXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-10-6(9)5-2-4(3-8)11-7-5/h2,8H,3H2,1H3.
What are the key properties of methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate?
methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 157.12 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 10034860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).