(3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

C14H19NO — CID 10727508

IUPAC(3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESC[C@H]1CCCN2[C@@H]1OC[C@H]2c1ccccc1
InChIInChI=1S/C14H19NO/c1-11-6-5-9-15-13(10-16-14(11)15)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3/t11-,13-,14+/m0/s1
InChIKeyIXHKSPFEANMSSQ-FPMFFAJLSA-N
MW217.31 g/mol
LogP2.82
Rot. Bonds1

About (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

(3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 10727508) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name(3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
PubChem CID10727508
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESC[C@H]1CCCN2[C@@H]1OC[C@H]2c1ccccc1
InChIInChI=1S/C14H19NO/c1-11-6-5-9-15-13(10-16-14(11)15)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3/t11-,13-,14+/m0/s1
InChIKeyIXHKSPFEANMSSQ-FPMFFAJLSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine with MolForge

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Related Compounds

(-)-2-Cyano-6-phenyloxazolopiperidine
CID 2724819
2-Morpholin-4-yl-2-phenylethanol
CID 10899797
(3S,5R,8aS)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo(3,2-a)pyridine-5-carbonitrile
CID 13819722
(1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane
CID 90680660
Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile
CID 435740
(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine
CID 132530885
(3R,8aS)-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10856922
(3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 11074832
3-phenyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 12104267
Phenyl propyl morpholine
CID 70003996
3-(4-Fluorophenyl)-4-methylmorpholine
CID 19966913
(3S)-3-(4-fluorophenyl)-4-methylmorpholine
CID 22870754

Frequently Asked Questions

What is the IUPAC name of (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (CID 10727508) is (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.
What is the SMILES notation for (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is C[C@H]1CCCN2[C@@H]1OC[C@H]2c1ccccc1.
What is the InChIKey of (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is IXHKSPFEANMSSQ-FPMFFAJLSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-5-9-15-13(10-16-14(11)15)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3/t11-,13-,14+/m0/s1.
What are the key properties of (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
(3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine has a molecular weight of 217.31 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8S,8aR)-8-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 10727508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).