(1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol

C16H23NO2 — CID 134841347

IUPAC(1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol
SMILESCC[C@@H](O)[C@H]1CCC[C@H]2OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C16H23NO2/c1-2-15(18)13-9-6-10-16-17(13)14(11-19-16)12-7-4-3-5-8-12/h3-5,7-8,13-16,18H,2,6,9-11H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKeyXUSCABMRQCNHTK-QKPAOTATSA-N
MW261.36 g/mol
LogP2.71
Rot. Bonds3

About (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol

(1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol (PubChem CID 134841347) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol
PubChem CID134841347
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol
SMILESCC[C@@H](O)[C@H]1CCC[C@H]2OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C16H23NO2/c1-2-15(18)13-9-6-10-16-17(13)14(11-19-16)12-7-4-3-5-8-12/h3-5,7-8,13-16,18H,2,6,9-11H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKeyXUSCABMRQCNHTK-QKPAOTATSA-N
XLogP2.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol with MolForge

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Related Compounds

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2-(4-Methylphenyl)-2-(morpholin-4-yl)ethan-1-ol
CID 202166
(3S,5R,8aS)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo(3,2-a)pyridine-5-carbonitrile
CID 13819722
2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride
CID 90677935
Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile
CID 435740
(5R,7R,8aS)-5-[4-(trifluoromethyl)phenyl]-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridin-7-ol
CID 135066610
(3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 11074832
(1R,2S)-1-cyclohexyl-2-morpholin-4-yl-2-phenylethanol
CID 9965778
2-(2,3-Difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 91234960

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol?
The IUPAC name of (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol (CID 134841347) is (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol is CC[C@@H](O)[C@H]1CCC[C@H]2OC[C@@H](c3ccccc3)N12.
What is the InChIKey of (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol?
The InChIKey is XUSCABMRQCNHTK-QKPAOTATSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-15(18)13-9-6-10-16-17(13)14(11-19-16)12-7-4-3-5-8-12/h3-5,7-8,13-16,18H,2,6,9-11H2,1H3/t13-,14+,15-,16-/m1/s1.
What are the key properties of (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol?
(1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R,5R,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-yl]propan-1-ol is sourced from PubChem (CID 134841347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).