2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one

C14H15F2NO2 — CID 141205094

IUPAC2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SMILESO=C1CCC2(C(F)F)OC(Cc3ccccc3)CN12
InChIInChI=1S/C14H15F2NO2/c15-13(16)14-7-6-12(18)17(14)9-11(19-14)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyGUZMGHCVJZXZFE-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.21
Rot. Bonds3

About 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one

2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one (PubChem CID 141205094) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one.

Molecular Properties

Compound Name2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
PubChem CID141205094
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SMILESO=C1CCC2(C(F)F)OC(Cc3ccccc3)CN12
InChIInChI=1S/C14H15F2NO2/c15-13(16)14-7-6-12(18)17(14)9-11(19-14)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyGUZMGHCVJZXZFE-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one with MolForge

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Related Compounds

(3R,7aS)-7a-but-3-enyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 12154069
(3R,7aS)-7a-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 1268179
(3S)-3-Benzyl-7a-(trifluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one
CID 44464752
(3R)-3-Benzyl-7a-(trifluoromethyl)tetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
CID 72942216
(3R)-3-Benzyl-7a-(difluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one
CID 72942219
1-(4-Benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one
CID 90083096
(7aR)-7a-(4-fluorophenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 97170532
(3R,7aR)-7a-(4,4-difluorocyclohexyl)-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 146633900
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-5,5,5-trifluoropentan-1-one
CID 148237579
(3R)-7a-(4,4-difluorocyclohexyl)-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 167026524
(3r)-3-Phenyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6h)-one
CID 2733462
(3S,7aR)-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 7157229

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The IUPAC name of 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one (CID 141205094) is 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one.
What is the SMILES notation for 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The canonical SMILES for 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one is O=C1CCC2(C(F)F)OC(Cc3ccccc3)CN12.
What is the InChIKey of 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The InChIKey is GUZMGHCVJZXZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c15-13(16)14-7-6-12(18)17(14)9-11(19-14)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2.
What are the key properties of 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one has a molecular weight of 267.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7a-(difluoromethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one is sourced from PubChem (CID 141205094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).