methyl 2-(5H-1,2-oxazol-2-yl)acetate

C6H9NO3 — CID 90747595

IUPACmethyl 2-(5H-1,2-oxazol-2-yl)acetate
SMILESCOC(=O)CN1C=CCO1
InChIInChI=1S/C6H9NO3/c1-9-6(8)5-7-3-2-4-10-7/h2-3H,4-5H2,1H3
InChIKeyFWFDQPKDKPZHKF-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.08
Rot. Bonds2

About methyl 2-(5H-1,2-oxazol-2-yl)acetate

methyl 2-(5H-1,2-oxazol-2-yl)acetate (PubChem CID 90747595) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl 2-(5H-1,2-oxazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5H-1,2-oxazol-2-yl)acetate
PubChem CID90747595
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl 2-(5H-1,2-oxazol-2-yl)acetate
SMILESCOC(=O)CN1C=CCO1
InChIInChI=1S/C6H9NO3/c1-9-6(8)5-7-3-2-4-10-7/h2-3H,4-5H2,1H3
InChIKeyFWFDQPKDKPZHKF-UHFFFAOYSA-N
XLogP-0.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5H-1,2-oxazol-2-yl)acetic acid
CID 21949455
prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate
CID 70025624
Methyl 2-[methyl(prop-1-enyl)amino]acetate
CID 141015781

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5H-1,2-oxazol-2-yl)acetate?
The IUPAC name of methyl 2-(5H-1,2-oxazol-2-yl)acetate (CID 90747595) is methyl 2-(5H-1,2-oxazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(5H-1,2-oxazol-2-yl)acetate?
The canonical SMILES for methyl 2-(5H-1,2-oxazol-2-yl)acetate is COC(=O)CN1C=CCO1.
What is the InChIKey of methyl 2-(5H-1,2-oxazol-2-yl)acetate?
The InChIKey is FWFDQPKDKPZHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-9-6(8)5-7-3-2-4-10-7/h2-3H,4-5H2,1H3.
What are the key properties of methyl 2-(5H-1,2-oxazol-2-yl)acetate?
methyl 2-(5H-1,2-oxazol-2-yl)acetate has a molecular weight of 143.14 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5H-1,2-oxazol-2-yl)acetate is sourced from PubChem (CID 90747595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).