methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate

C10H14FNO3 — CID 166662436

IUPACmethyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate
SMILESCOC(=O)C12ON=C(C)C1CCC2(C)F
InChIInChI=1S/C10H14FNO3/c1-6-7-4-5-9(2,11)10(7,15-12-6)8(13)14-3/h7H,4-5H2,1-3H3
InChIKeyFDZGLJUENAZMLG-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.44
Rot. Bonds1

About methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate

methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate (PubChem CID 166662436) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate
PubChem CID166662436
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Namemethyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate
SMILESCOC(=O)C12ON=C(C)C1CCC2(C)F
InChIInChI=1S/C10H14FNO3/c1-6-7-4-5-9(2,11)10(7,15-12-6)8(13)14-3/h7H,4-5H2,1-3H3
InChIKeyFDZGLJUENAZMLG-UHFFFAOYSA-N
XLogP1.44
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate?
The IUPAC name of methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate (CID 166662436) is methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate.
What is the SMILES notation for methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate?
The canonical SMILES for methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate is COC(=O)C12ON=C(C)C1CCC2(C)F.
What is the InChIKey of methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate?
The InChIKey is FDZGLJUENAZMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-6-7-4-5-9(2,11)10(7,15-12-6)8(13)14-3/h7H,4-5H2,1-3H3.
What are the key properties of methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate?
methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate has a molecular weight of 215.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-3,6-dimethyl-4,5-dihydro-3aH-cyclopenta[d][1,2]oxazole-6a-carboxylate is sourced from PubChem (CID 166662436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).