6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C10H16FNO3 — CID 142734601

IUPAC6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCOCC1(F)CC2COC(C)(C)N2C1=O
InChIInChI=1S/C10H16FNO3/c1-9(2)12-7(5-15-9)4-10(11,6-14-3)8(12)13/h7H,4-6H2,1-3H3
InChIKeyGVNGTYYTLLPIIG-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.71
Rot. Bonds2

About 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 142734601) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID142734601
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCOCC1(F)CC2COC(C)(C)N2C1=O
InChIInChI=1S/C10H16FNO3/c1-9(2)12-7(5-15-9)4-10(11,6-14-3)8(12)13/h7H,4-6H2,1-3H3
InChIKeyGVNGTYYTLLPIIG-UHFFFAOYSA-N
XLogP0.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one 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

(6S,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414013
(7R,7aS)-7-Ethyl-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414083
(7aS)-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 11008405
6-Fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 70126276
(7aR)-6-fluoro-3,3-dimethyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
CID 90054370
(6R,7aR)-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 90054372
(6S,7aR)-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 90054373
(R)-6-fluoro-3,3-dimethyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
CID 118160165
(6R,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414010
(6R,7aS)-6-fluoro-6-(hydroxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414073
(6S,7R,7aS)-6-fluoro-7-(fluoromethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414113
(6S,7aS)-6-fluoro-6-(hydroxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414133

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 142734601) is 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is COCC1(F)CC2COC(C)(C)N2C1=O.
What is the InChIKey of 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is GVNGTYYTLLPIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-9(2)12-7(5-15-9)4-10(11,6-14-3)8(12)13/h7H,4-6H2,1-3H3.
What are the key properties of 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 217.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-(methoxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 142734601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).