(2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol

C12H15NO2 — CID 10954696

IUPAC(2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol
SMILESO[C@H]1CCN2O[C@H](c3ccccc3)C[C@H]12
InChIInChI=1S/C12H15NO2/c14-11-6-7-13-10(11)8-12(15-13)9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11+,12+/m1/s1
InChIKeyOUUFHCVNKLWBNS-WOPDTQHZSA-N
MW205.26 g/mol
LogP1.50
Rot. Bonds1

About (2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol

(2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol (PubChem CID 10954696) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol.

Molecular Properties

Compound Name(2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol
PubChem CID10954696
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol
SMILESO[C@H]1CCN2O[C@H](c3ccccc3)C[C@H]12
InChIInChI=1S/C12H15NO2/c14-11-6-7-13-10(11)8-12(15-13)9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11+,12+/m1/s1
InChIKeyOUUFHCVNKLWBNS-WOPDTQHZSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-2-methyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylbutan-1-ol
CID 11776842
(2S,3aR)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole
CID 12842095
(2R,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol
CID 12034806
5-Methyl-3-phenyl-8-hydroxy-2-oxa-1-azabicyclo[3.3.0]octane
CID 12249706
(2R,3aR)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole
CID 12842096
(1S)-2-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylethanol
CID 13348688
(1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol
CID 54756539
2-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-1-phenylethanol
CID 101989073
3-Phenyl-5-methyl-2-oxa-1-aza-bicyclo[3.3.0]octane
CID 129808591
CID 162410797
CID 162410797
Mklfhssjiuazsb-uhfffaoysa-
CID 12249707
1-(3a,5,5-Trimethyl-2-phenyl-4,6-dihydropyrrolo[1,2-b][1,2]oxazol-3-yl)but-3-en-1-ol
CID 21669658

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol?
The IUPAC name of (2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol (CID 10954696) is (2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol.
What is the SMILES notation for (2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol?
The canonical SMILES for (2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol is O[C@H]1CCN2O[C@H](c3ccccc3)C[C@H]12.
What is the InChIKey of (2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol?
The InChIKey is OUUFHCVNKLWBNS-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H15NO2/c14-11-6-7-13-10(11)8-12(15-13)9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11+,12+/m1/s1.
What are the key properties of (2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol?
(2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol has a molecular weight of 205.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,4S)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-ol is sourced from PubChem (CID 10954696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).