methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate

C15H16FNO3 — CID 10802476

IUPACmethyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate
SMILESCCC1CC12N=C(c1cccc(F)c1)OC2C(=O)OC
InChIInChI=1S/C15H16FNO3/c1-3-10-8-15(10)12(14(18)19-2)20-13(17-15)9-5-4-6-11(16)7-9/h4-7,10,12H,3,8H2,1-2H3
InChIKeyUWAREHUQJTYQRF-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.31
Rot. Bonds3

About methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate

methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate (PubChem CID 10802476) has the molecular formula C15H16FNO3 and a molecular weight of 277.29 g/mol. Its IUPAC name is methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate
PubChem CID10802476
Molecular FormulaC15H16FNO3
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Namemethyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate
SMILESCCC1CC12N=C(c1cccc(F)c1)OC2C(=O)OC
InChIInChI=1S/C15H16FNO3/c1-3-10-8-15(10)12(14(18)19-2)20-13(17-15)9-5-4-6-11(16)7-9/h4-7,10,12H,3,8H2,1-2H3
InChIKeyUWAREHUQJTYQRF-UHFFFAOYSA-N
XLogP2.31
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(1S)-2-methyl-1-[(5R)-4-oxo-2-phenyl-5-prop-2-enyl-1,3-oxazol-5-yl]propyl] acetate
CID 46221328
[(1S)-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]hexyl] acetate
CID 101562438
cis-2-Phenyl-4-tridecyl-5-carbomethoxy-2-oxazoline
CID 129727434
cis-2-Phenyl-4-tridecyl-5-carboxy-2-oxazoline
CID 129727862
[(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate
CID 134942848
[(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate
CID 134997817
[(1S)-2-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]propyl] acetate
CID 134997818
[(1S)-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]decyl] acetate
CID 135006195
[(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate
CID 135006196
[(1S)-1-[(5R)-5-butyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]hexyl] acetate
CID 135006199
[(1S)-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]hexyl] acetate
CID 135006200
[(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate
CID 135006201

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate?
The IUPAC name of methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate (CID 10802476) is methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate is CCC1CC12N=C(c1cccc(F)c1)OC2C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate?
The InChIKey is UWAREHUQJTYQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-3-10-8-15(10)12(14(18)19-2)20-13(17-15)9-5-4-6-11(16)7-9/h4-7,10,12H,3,8H2,1-2H3.
What are the key properties of methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate?
methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate has a molecular weight of 277.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-(3-fluorophenyl)-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate is sourced from PubChem (CID 10802476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).