2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate

C9H13NO3 — CID 22678993

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1=NCCO1
InChIInChI=1S/C9H13NO3/c1-7(2)9(11)13-5-3-8-10-4-6-12-8/h1,3-6H2,2H3
InChIKeyZTRAEGUMECSHEA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.92
Rot. Bonds4

About 2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate

2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate (PubChem CID 22678993) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate
PubChem CID22678993
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1=NCCO1
InChIInChI=1S/C9H13NO3/c1-7(2)9(11)13-5-3-8-10-4-6-12-8/h1,3-6H2,2H3
InChIKeyZTRAEGUMECSHEA-UHFFFAOYSA-N
XLogP0.92
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate (CID 22678993) is 2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is ZTRAEGUMECSHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7(2)9(11)13-5-3-8-10-4-6-12-8/h1,3-6H2,2H3.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate?
2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 183.21 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22678993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).