(2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine

C15H19NO — CID 165343330

IUPAC(2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
SMILESC(=C/[C@@H]1C[C@H]2CCCCN2O1)\c1ccccc1
InChIInChI=1S/C15H19NO/c1-2-6-13(7-3-1)9-10-15-12-14-8-4-5-11-16(14)17-15/h1-3,6-7,9-10,14-15H,4-5,8,11-12H2/b10-9+/t14-,15-/m1/s1
InChIKeyOLTLRXSNXIXKLR-SXKCSBRWSA-N
MW229.32 g/mol
LogP3.26
Rot. Bonds2

About (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine

(2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine (PubChem CID 165343330) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine.

Molecular Properties

Compound Name(2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
PubChem CID165343330
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
SMILESC(=C/[C@@H]1C[C@H]2CCCCN2O1)\c1ccccc1
InChIInChI=1S/C15H19NO/c1-2-6-13(7-3-1)9-10-15-12-14-8-4-5-11-16(14)17-15/h1-3,6-7,9-10,14-15H,4-5,8,11-12H2/b10-9+/t14-,15-/m1/s1
InChIKeyOLTLRXSNXIXKLR-SXKCSBRWSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine with MolForge

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Related Compounds

(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carbaldehyde
CID 14119694
1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 70581540
(E)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 95270198
4-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674341
(2S,3aR)-2-[(1S)-1-diphenylphosphorylpropyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
CID 11726581
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
4-[2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674645
1-[(E)-2-phenylethenyl]azepane
CID 146169339
2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine
CID 11723464
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329

Frequently Asked Questions

What is the IUPAC name of (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
The IUPAC name of (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine (CID 165343330) is (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine.
What is the SMILES notation for (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
The canonical SMILES for (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine is C(=C/[C@@H]1C[C@H]2CCCCN2O1)\c1ccccc1.
What is the InChIKey of (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
The InChIKey is OLTLRXSNXIXKLR-SXKCSBRWSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-6-13(7-3-1)9-10-15-12-14-8-4-5-11-16(14)17-15/h1-3,6-7,9-10,14-15H,4-5,8,11-12H2/b10-9+/t14-,15-/m1/s1.
What are the key properties of (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
(2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine has a molecular weight of 229.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine is sourced from PubChem (CID 165343330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).