(6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione

C16H19NO5 — CID 59894554

IUPAC(6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione
SMILESCOc1ccc([C@@H]2CC(C)C3COC(=O)N3C2=O)cc1OC
InChIInChI=1S/C16H19NO5/c1-9-6-11(15(18)17-12(9)8-22-16(17)19)10-4-5-13(20-2)14(7-10)21-3/h4-5,7,9,11-12H,6,8H2,1-3H3/t9?,11-,12?/m0/s1
InChIKeyOELOFLBBSLURRE-ZYXZCXLHSA-N
MW305.33 g/mol
LogP2.17
Rot. Bonds3

About (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione

(6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione (PubChem CID 59894554) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione.

Molecular Properties

Compound Name(6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione
PubChem CID59894554
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name(6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione
SMILESCOc1ccc([C@@H]2CC(C)C3COC(=O)N3C2=O)cc1OC
InChIInChI=1S/C16H19NO5/c1-9-6-11(15(18)17-12(9)8-22-16(17)19)10-4-5-13(20-2)14(7-10)21-3/h4-5,7,9,11-12H,6,8H2,1-3H3/t9?,11-,12?/m0/s1
InChIKeyOELOFLBBSLURRE-ZYXZCXLHSA-N
XLogP2.17
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione?
The IUPAC name of (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione (CID 59894554) is (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione.
What is the SMILES notation for (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione?
The canonical SMILES for (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione is COc1ccc([C@@H]2CC(C)C3COC(=O)N3C2=O)cc1OC.
What is the InChIKey of (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione?
The InChIKey is OELOFLBBSLURRE-ZYXZCXLHSA-N. The full InChI is InChI=1S/C16H19NO5/c1-9-6-11(15(18)17-12(9)8-22-16(17)19)10-4-5-13(20-2)14(7-10)21-3/h4-5,7,9,11-12H,6,8H2,1-3H3/t9?,11-,12?/m0/s1.
What are the key properties of (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione?
(6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione has a molecular weight of 305.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,5-dione is sourced from PubChem (CID 59894554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).