8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine

C14H19NO — CID 15744652

IUPAC8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
SMILESCC12CCCCN1CC(c1ccccc1)O2
InChIInChI=1S/C14H19NO/c1-14-9-5-6-10-15(14)11-13(16-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyLGYZGTNKSCEBNM-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds1

About 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine

8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 15744652) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
PubChem CID15744652
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
SMILESCC12CCCCN1CC(c1ccccc1)O2
InChIInChI=1S/C14H19NO/c1-14-9-5-6-10-15(14)11-13(16-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyLGYZGTNKSCEBNM-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine with MolForge

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Related Compounds

(3S,8aR)-8a-methyl-3-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
CID 10512968
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693
(3R,9aS)-9a-methyl-3-phenyl-2,3,6,7,8,9-hexahydro-[1,3]oxazolo[3,2-a]azepin-5-one
CID 10729053
1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine
CID 11256011
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
(2R,3S,8aS)-3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 928750
1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
CID 23467197
1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine
CID 11085524
(2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one
CID 7070990
(4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 77086044
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane
CID 71383959

Frequently Asked Questions

What is the IUPAC name of 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine (CID 15744652) is 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine.
What is the SMILES notation for 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine is CC12CCCCN1CC(c1ccccc1)O2.
What is the InChIKey of 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is LGYZGTNKSCEBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14-9-5-6-10-15(14)11-13(16-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3.
What are the key properties of 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine?
8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine has a molecular weight of 217.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 15744652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).