ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate

C17H24FNO3 — CID 142209999

IUPACethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate
SMILESC/C=C\C(C)C(F)/C=C(\C)c1nc(C)c(CC(=O)OCC)o1
InChIInChI=1S/C17H24FNO3/c1-6-8-11(3)14(18)9-12(4)17-19-13(5)15(22-17)10-16(20)21-7-2/h6,8-9,11,14H,7,10H2,1-5H3/b8-6-,12-9+
InChIKeyFPSQLFNVGYWRKW-ZHAQITPWSA-N
MW309.38 g/mol
LogP4.04
Rot. Bonds7

About ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate

ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate (PubChem CID 142209999) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate
PubChem CID142209999
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nameethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate
SMILESC/C=C\C(C)C(F)/C=C(\C)c1nc(C)c(CC(=O)OCC)o1
InChIInChI=1S/C17H24FNO3/c1-6-8-11(3)14(18)9-12(4)17-19-13(5)15(22-17)10-16(20)21-7-2/h6,8-9,11,14H,7,10H2,1-5H3/b8-6-,12-9+
InChIKeyFPSQLFNVGYWRKW-ZHAQITPWSA-N
XLogP4.04
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate (CID 142209999) is ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate is C/C=C\C(C)C(F)/C=C(\C)c1nc(C)c(CC(=O)OCC)o1.
What is the InChIKey of ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate?
The InChIKey is FPSQLFNVGYWRKW-ZHAQITPWSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-6-8-11(3)14(18)9-12(4)17-19-13(5)15(22-17)10-16(20)21-7-2/h6,8-9,11,14H,7,10H2,1-5H3/b8-6-,12-9+.
What are the key properties of ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate?
ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate has a molecular weight of 309.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate is sourced from PubChem (CID 142209999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).