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

C14H19NO — CID 135070257

IUPAC3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCC1C(c2ccccc2)OC2CCCCN21
InChIInChI=1S/C14H19NO/c1-11-14(12-7-3-2-4-8-12)16-13-9-5-6-10-15(11)13/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3
InChIKeyYELCYRNPASAXIO-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds1

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

3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 135070257) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
PubChem CID135070257
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCC1C(c2ccccc2)OC2CCCCN21
InChIInChI=1S/C14H19NO/c1-11-14(12-7-3-2-4-8-12)16-13-9-5-6-10-15(11)13/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3
InChIKeyYELCYRNPASAXIO-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 3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenmetrazine
CID 4762
Phendimetrazine
CID 30487
Phenmetrazine Hydrochloride
CID 92159
Bontril
CID 12460
Oxaflozane
CID 432824
3,4-Dimethyl-5-phenyl-1,3-oxazolidine
CID 434666
1''-isopropyl-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10014139
1-Phenyloctahydropyrido[2,1-c][1,4]oxazine
CID 11842168
3-(2-Benzhydryloxy-ethylidene)-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44351284
2-Phenyl-4-propyl-tetrahydro-1,4-oxazine
CID 6430941
Phendimetrazine hydrochloride
CID 6437591
Pyrido(2,1-c)(1,4)oxazine, octahydro-3-phenyl-, hydrochloride
CID 3044778

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of 3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (CID 135070257) is 3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.
What is the SMILES notation for 3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for 3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is CC1C(c2ccccc2)OC2CCCCN21.
What is the InChIKey of 3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is YELCYRNPASAXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-14(12-7-3-2-4-8-12)16-13-9-5-6-10-15(11)13/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3.
What are the key properties of 3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
3-methyl-2-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 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 135070257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).