(3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one

C15H17NO2 — CID 11436470

IUPAC(3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
SMILESCC[C@H]1C=CC(=O)N2[C@@H]1OC[C@H]2c1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-11-8-9-14(17)16-13(10-18-15(11)16)12-6-4-3-5-7-12/h3-9,11,13,15H,2,10H2,1H3/t11-,13-,15+/m0/s1
InChIKeyJTOJDDMHJMTSHY-CORIIIEPSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds2

About (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one

(3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one (PubChem CID 11436470) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name(3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
PubChem CID11436470
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
SMILESCC[C@H]1C=CC(=O)N2[C@@H]1OC[C@H]2c1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-11-8-9-14(17)16-13(10-18-15(11)16)12-6-4-3-5-7-12/h3-9,11,13,15H,2,10H2,1H3/t11-,13-,15+/m0/s1
InChIKeyJTOJDDMHJMTSHY-CORIIIEPSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one with MolForge

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Related Compounds

(3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one
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3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
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CID 134157470
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
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CID 110728326
4-Benzyl-2,2-dimethyl-3-propionyl-1,3-oxazolidine
CID 11842087
4-Benzyl-3-crotonyl-2-oxazolidinone
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CID 3064263
N-Methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]-N-(2-phenylethyl)acetamide
CID 72841935

Frequently Asked Questions

What is the IUPAC name of (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The IUPAC name of (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one (CID 11436470) is (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The canonical SMILES for (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one is CC[C@H]1C=CC(=O)N2[C@@H]1OC[C@H]2c1ccccc1.
What is the InChIKey of (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The InChIKey is JTOJDDMHJMTSHY-CORIIIEPSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-11-8-9-14(17)16-13(10-18-15(11)16)12-6-4-3-5-7-12/h3-9,11,13,15H,2,10H2,1H3/t11-,13-,15+/m0/s1.
What are the key properties of (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
(3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one has a molecular weight of 243.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8S,8aR)-8-ethyl-3-phenyl-2,3,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 11436470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).