2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid

C9H11NO6 — CID 166447056

IUPAC2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid
SMILESCCOC(=O)c1ncoc1COCC(=O)O
InChIInChI=1S/C9H11NO6/c1-2-15-9(13)8-6(16-5-10-8)3-14-4-7(11)12/h5H,2-4H2,1H3,(H,11,12)
InChIKeyNJRVYSSVZDLZTP-UHFFFAOYSA-N
MW229.19 g/mol
LogP0.45
Rot. Bonds6

About 2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid

2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid (PubChem CID 166447056) has the molecular formula C9H11NO6 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid
PubChem CID166447056
Molecular FormulaC9H11NO6
Molecular Weight229.19 g/mol
Exact Mass229.06
IUPAC Name2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid
SMILESCCOC(=O)c1ncoc1COCC(=O)O
InChIInChI=1S/C9H11NO6/c1-2-15-9(13)8-6(16-5-10-8)3-14-4-7(11)12/h5H,2-4H2,1H3,(H,11,12)
InChIKeyNJRVYSSVZDLZTP-UHFFFAOYSA-N
XLogP0.45
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid?
The IUPAC name of 2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid (CID 166447056) is 2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid is CCOC(=O)c1ncoc1COCC(=O)O.
What is the InChIKey of 2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid?
The InChIKey is NJRVYSSVZDLZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6/c1-2-15-9(13)8-6(16-5-10-8)3-14-4-7(11)12/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid?
2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid has a molecular weight of 229.19 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid is sourced from PubChem (CID 166447056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).