methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate

C6H9NO3 — CID 15696933

IUPACmethyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate
SMILESCOC(=O)CC1=NCCO1
InChIInChI=1S/C6H9NO3/c1-9-6(8)4-5-7-2-3-10-5/h2-4H2,1H3
InChIKeyWARNYGPMJUBYKM-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.02
Rot. Bonds2

About methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate

methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate (PubChem CID 15696933) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate
PubChem CID15696933
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate
SMILESCOC(=O)CC1=NCCO1
InChIInChI=1S/C6H9NO3/c1-9-6(8)4-5-7-2-3-10-5/h2-4H2,1H3
InChIKeyWARNYGPMJUBYKM-UHFFFAOYSA-N
XLogP-0.02
TPSA47.89 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 ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate?
The IUPAC name of methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate (CID 15696933) is methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate?
The canonical SMILES for methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate is COC(=O)CC1=NCCO1.
What is the InChIKey of methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate?
The InChIKey is WARNYGPMJUBYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-9-6(8)4-5-7-2-3-10-5/h2-4H2,1H3.
What are the key properties of methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate?
methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate has a molecular weight of 143.14 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dihydro-1,3-oxazol-2-yl)acetate is sourced from PubChem (CID 15696933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).