(3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol

C12H13NO2 — CID 132505563

IUPAC(3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol
SMILESO[C@@H]1CC[C@@H]2C(c3ccccc3)=NO[C@H]12
InChIInChI=1S/C12H13NO2/c14-10-7-6-9-11(13-15-12(9)10)8-4-2-1-3-5-8/h1-5,9-10,12,14H,6-7H2/t9-,10-,12+/m1/s1
InChIKeyOHIQHISKGASIQH-FOGDFJRCSA-N
MW203.24 g/mol
LogP1.56
Rot. Bonds1

About (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol

(3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol (PubChem CID 132505563) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol.

Molecular Properties

Compound Name(3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol
PubChem CID132505563
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol
SMILESO[C@@H]1CC[C@@H]2C(c3ccccc3)=NO[C@H]12
InChIInChI=1S/C12H13NO2/c14-10-7-6-9-11(13-15-12(9)10)8-4-2-1-3-5-8/h1-5,9-10,12,14H,6-7H2/t9-,10-,12+/m1/s1
InChIKeyOHIQHISKGASIQH-FOGDFJRCSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol with MolForge

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Related Compounds

1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol
CID 13307489
5,6-Dihydro-3-(4-methylphenyl)-4H-1,2-oxazine-6-methanol
CID 11390107
3-Phenyl-5-hydroxymethylisoxazoline
CID 353147
(s)-(+)-4,5-Dihydro-3-phenyl-5-isoxazolmethanol
CID 820796
4,5-Dihydro-5-methyl-3-phenyl-5-isoxazolemethanol
CID 11344513
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 22184733
3-Phenyl-5-hydroxy-5-(gamma-hydroxypropyl)isoxazoline
CID 12450673
[3-(2-Phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 10932619
2-Hydroxy-5-nonylacetophenone oxime
CID 57351272
[3-(1-Phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 64166156
2-Hydroxynonylacetophenone oxime
CID 129704037
[(3aR,4S,6S,6aS)-6-(hydroxymethyl)-3-(4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl]methanol
CID 127041075

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol?
The IUPAC name of (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol (CID 132505563) is (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol.
What is the SMILES notation for (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol?
The canonical SMILES for (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol is O[C@@H]1CC[C@@H]2C(c3ccccc3)=NO[C@H]12.
What is the InChIKey of (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol?
The InChIKey is OHIQHISKGASIQH-FOGDFJRCSA-N. The full InChI is InChI=1S/C12H13NO2/c14-10-7-6-9-11(13-15-12(9)10)8-4-2-1-3-5-8/h1-5,9-10,12,14H,6-7H2/t9-,10-,12+/m1/s1.
What are the key properties of (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol?
(3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol has a molecular weight of 203.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aS)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol is sourced from PubChem (CID 132505563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).