(3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione

C13H13NO3 — CID 102161994

IUPAC(3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione
SMILESO=C1O[C@H]2CCCC(=O)N2[C@@H]1c1ccccc1
InChIInChI=1S/C13H13NO3/c15-10-7-4-8-11-14(10)12(13(16)17-11)9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2/t11-,12+/m0/s1
InChIKeyQPGLKELTMAIQTO-NWDGAFQWSA-N
MW231.25 g/mol
LogP1.62
Rot. Bonds1

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

(3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione (PubChem CID 102161994) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione.

Molecular Properties

Compound Name(3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione
PubChem CID102161994
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione
SMILESO=C1O[C@H]2CCCC(=O)N2[C@@H]1c1ccccc1
InChIInChI=1S/C13H13NO3/c15-10-7-4-8-11-14(10)12(13(16)17-11)9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2/t11-,12+/m0/s1
InChIKeyQPGLKELTMAIQTO-NWDGAFQWSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione 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

(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one
CID 163912584
(3R,8R)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 58592944
5-phenyloxolan-2-one
CID 13884
1-(4-fluorophenyl)-6-phenylpiperidin-2-one
CID 14576903
1-methyl-7-phenylazocan-2-one
CID 165415866
(3R,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 13148720
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
(3R)-3-phenylcyclohexan-1-one
CID 11041212
2-methyl-5-phenyl-1,3-dioxolan-4-one
CID 18730132
1-(2-phenyloxetan-3-yl)pyrrolidin-2-one
CID 100959529

Frequently Asked Questions

What is the IUPAC name of (3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione?
The IUPAC name of (3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione (CID 102161994) is (3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione.
What is the SMILES notation for (3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione?
The canonical SMILES for (3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione is O=C1O[C@H]2CCCC(=O)N2[C@@H]1c1ccccc1.
What is the InChIKey of (3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione?
The InChIKey is QPGLKELTMAIQTO-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H13NO3/c15-10-7-4-8-11-14(10)12(13(16)17-11)9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2/t11-,12+/m0/s1.
What are the key properties of (3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione?
(3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione has a molecular weight of 231.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aS)-3-phenyl-6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyridine-2,5-dione is sourced from PubChem (CID 102161994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).