methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate

C8H11NO4 — CID 138470266

IUPACmethyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate
SMILESCOC(=O)C(C)c1cc(OC)no1
InChIInChI=1S/C8H11NO4/c1-5(8(10)12-3)6-4-7(11-2)9-13-6/h4-5H,1-3H3
InChIKeyLCUZTYMXAWAZLS-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.96
Rot. Bonds3

About methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate

methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate (PubChem CID 138470266) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate
PubChem CID138470266
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namemethyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate
SMILESCOC(=O)C(C)c1cc(OC)no1
InChIInChI=1S/C8H11NO4/c1-5(8(10)12-3)6-4-7(11-2)9-13-6/h4-5H,1-3H3
InChIKeyLCUZTYMXAWAZLS-UHFFFAOYSA-N
XLogP0.96
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The IUPAC name of methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate (CID 138470266) is methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The canonical SMILES for methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate is COC(=O)C(C)c1cc(OC)no1.
What is the InChIKey of methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The InChIKey is LCUZTYMXAWAZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-5(8(10)12-3)6-4-7(11-2)9-13-6/h4-5H,1-3H3.
What are the key properties of methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate?
methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate has a molecular weight of 185.18 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxy-1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 138470266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).