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

C14H19NO — CID 11074832

IUPAC(3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESC[C@@H]1CCCC2OC[C@@H](c3ccccc3)N21
InChIInChI=1S/C14H19NO/c1-11-6-5-9-14-15(11)13(10-16-14)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3/t11-,13+,14?/m1/s1
InChIKeyIIUCGRSEWGPTQH-LXKBMQFRSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds1

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

(3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 11074832) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name(3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
PubChem CID11074832
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESC[C@@H]1CCCC2OC[C@@H](c3ccccc3)N21
InChIInChI=1S/C14H19NO/c1-11-6-5-9-14-15(11)13(10-16-14)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3/t11-,13+,14?/m1/s1
InChIKeyIIUCGRSEWGPTQH-LXKBMQFRSA-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 (3R,5R)-5-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
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CID 10899797
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CID 13819722
Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile
CID 435740
(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine
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(3R,8aS)-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10856922
3-phenyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 12104267
Phenyl propyl morpholine
CID 70003996
10-Phenyl-1-oxa-9-azaspiro[4.5]decane
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CID 19966913
(3S)-3-(4-fluorophenyl)-4-methylmorpholine
CID 22870754
3-(2,5-Difluorophenyl)-4-propan-2-ylmorpholine
CID 58334512

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of (3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (CID 11074832) is (3R,5R)-5-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,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for (3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is C[C@@H]1CCCC2OC[C@@H](c3ccccc3)N21.
What is the InChIKey of (3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is IIUCGRSEWGPTQH-LXKBMQFRSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-5-9-14-15(11)13(10-16-14)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3/t11-,13+,14?/m1/s1.
What are the key properties of (3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
(3R,5R)-5-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 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 11074832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).