(E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate

C8H8NO3- — CID 7063565

IUPAC(E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate
SMILESCc1noc(C)c1/C=C/C(=O)[O-]
InChIInChI=1S/C8H9NO3/c1-5-7(3-4-8(10)11)6(2)12-9-5/h3-4H,1-2H3,(H,10,11)/p-1/b4-3+
InChIKeyBDTVMGBOXLTXBK-ONEGZZNKSA-M
MW166.16 g/mol
LogP0.05
Rot. Bonds2

About (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate

(E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate (PubChem CID 7063565) has the molecular formula C8H8NO3- and a molecular weight of 166.16 g/mol. Its IUPAC name is (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate.

Molecular Properties

Compound Name(E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate
PubChem CID7063565
Molecular FormulaC8H8NO3-
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name(E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate
SMILESCc1noc(C)c1/C=C/C(=O)[O-]
InChIInChI=1S/C8H9NO3/c1-5-7(3-4-8(10)11)6(2)12-9-5/h3-4H,1-2H3,(H,10,11)/p-1/b4-3+
InChIKeyBDTVMGBOXLTXBK-ONEGZZNKSA-M
XLogP0.05
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole
CID 147391521
(NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
CID 60639672
4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole
CID 89401907
4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol
CID 170476060
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
(E)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-enoic acid
CID 170872194
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339803
methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate
CID 152577748
3,5-dimethyl-1,2-oxazole-4-sulfonic acid;hydrochloride
CID 142193627
2-(3,5-dimethyl-1,2-oxazol-4-yl)propanedioic acid
CID 162373151
3,4,5-trimethyl-1,2-oxazole
CID 25375
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanoic acid
CID 82180799

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate?
The IUPAC name of (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate (CID 7063565) is (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate.
What is the SMILES notation for (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate?
The canonical SMILES for (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate is Cc1noc(C)c1/C=C/C(=O)[O-].
What is the InChIKey of (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate?
The InChIKey is BDTVMGBOXLTXBK-ONEGZZNKSA-M. The full InChI is InChI=1S/C8H9NO3/c1-5-7(3-4-8(10)11)6(2)12-9-5/h3-4H,1-2H3,(H,10,11)/p-1/b4-3+.
What are the key properties of (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate?
(E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate has a molecular weight of 166.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate is sourced from PubChem (CID 7063565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).