prop-2-enyl 2-(1,2-oxazol-3-yl)acetate

C8H9NO3 — CID 70025625

IUPACprop-2-enyl 2-(1,2-oxazol-3-yl)acetate
SMILESC=CCOC(=O)Cc1ccon1
InChIInChI=1S/C8H9NO3/c1-2-4-11-8(10)6-7-3-5-12-9-7/h2-3,5H,1,4,6H2
InChIKeyNMNSGBYGNUMZNA-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.95
Rot. Bonds4

About prop-2-enyl 2-(1,2-oxazol-3-yl)acetate

prop-2-enyl 2-(1,2-oxazol-3-yl)acetate (PubChem CID 70025625) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is prop-2-enyl 2-(1,2-oxazol-3-yl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(1,2-oxazol-3-yl)acetate
PubChem CID70025625
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Nameprop-2-enyl 2-(1,2-oxazol-3-yl)acetate
SMILESC=CCOC(=O)Cc1ccon1
InChIInChI=1S/C8H9NO3/c1-2-4-11-8(10)6-7-3-5-12-9-7/h2-3,5H,1,4,6H2
InChIKeyNMNSGBYGNUMZNA-UHFFFAOYSA-N
XLogP0.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-Oxazol-3-yl)acetic acid
CID 13042083
Methyl 2-(1,2-oxazol-3-yl)acetate
CID 54530476
2-Isoxazol-3-ylethanol
CID 17997979
2-(1,2-Oxazol-3-yl)propanoic acid
CID 18989700
2-Fluoro-2-(1,2-oxazol-3-yl)propanoic acid
CID 165981292
3-(2,2-Diethoxyethyl)-1,2-oxazole
CID 134994287
2,2-Difluoro-2-(1,2-oxazol-3-yl)acetic acid
CID 165843557
3-(2,2-Dimethoxyethyl)-5-methoxyisoxazole
CID 353805
Ethyl (1,2-oxazol-3-yl)acetate
CID 45099106
2-(1,2-oxazol-3-yl)ethanethioic S-acid
CID 21326229
2-(1,2-Oxazol-3-yl)acetaldehyde
CID 22631092
3-Prop-2-enyl-1,2-oxazole
CID 53695374

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(1,2-oxazol-3-yl)acetate?
The IUPAC name of prop-2-enyl 2-(1,2-oxazol-3-yl)acetate (CID 70025625) is prop-2-enyl 2-(1,2-oxazol-3-yl)acetate.
What is the SMILES notation for prop-2-enyl 2-(1,2-oxazol-3-yl)acetate?
The canonical SMILES for prop-2-enyl 2-(1,2-oxazol-3-yl)acetate is C=CCOC(=O)Cc1ccon1.
What is the InChIKey of prop-2-enyl 2-(1,2-oxazol-3-yl)acetate?
The InChIKey is NMNSGBYGNUMZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-4-11-8(10)6-7-3-5-12-9-7/h2-3,5H,1,4,6H2.
What are the key properties of prop-2-enyl 2-(1,2-oxazol-3-yl)acetate?
prop-2-enyl 2-(1,2-oxazol-3-yl)acetate has a molecular weight of 167.16 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(1,2-oxazol-3-yl)acetate is sourced from PubChem (CID 70025625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).