6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C11H16FNO3 — CID 142734623

IUPAC6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OCC2CC(C3(F)COC3)C(=O)N21
InChIInChI=1S/C11H16FNO3/c1-10(2)13-7(4-16-10)3-8(9(13)14)11(12)5-15-6-11/h7-8H,3-6H2,1-2H3
InChIKeyYCYJTOUUHKNRCQ-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.71
Rot. Bonds1

About 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 142734623) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID142734623
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OCC2CC(C3(F)COC3)C(=O)N21
InChIInChI=1S/C11H16FNO3/c1-10(2)13-7(4-16-10)3-8(9(13)14)11(12)5-15-6-11/h7-8H,3-6H2,1-2H3
InChIKeyYCYJTOUUHKNRCQ-UHFFFAOYSA-N
XLogP0.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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Related Compounds

6-(3-hydroxyoxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734611
(3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one
CID 126969517
(6R,8aS)-3,3,6-trimethyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-5-one
CID 15402243
6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 23322316
5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one
CID 123234429
(7aS)-6-(benzenesulfonyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 11748455
(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414398
6-fluoro-6-(hydroxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734619
(6R,7aS)-6-fluoro-6-(2-fluoroethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414299
6-fluoro-6-(2-hydroxyethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734572
(6S)-6-[(S)-anilino-[2-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 132523638
(6S,7S,7aS)-6-fluoro-7-(2-fluoroethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414202

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 142734623) is 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CC1(C)OCC2CC(C3(F)COC3)C(=O)N21.
What is the InChIKey of 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is YCYJTOUUHKNRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-10(2)13-7(4-16-10)3-8(9(13)14)11(12)5-15-6-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 229.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 142734623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).