ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone

C12H20N2O3 — CID 144955069

IUPACethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCC.COCC(=O)N1CCc2onc(C)c2C1
InChIInChI=1S/C10H14N2O3.C2H6/c1-7-8-5-12(10(13)6-14-2)4-3-9(8)15-11-7;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyVRQHUKKNZIRHOE-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.54
Rot. Bonds2

About ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone

ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 144955069) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Nameethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID144955069
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCC.COCC(=O)N1CCc2onc(C)c2C1
InChIInChI=1S/C10H14N2O3.C2H6/c1-7-8-5-12(10(13)6-14-2)4-3-9(8)15-11-7;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyVRQHUKKNZIRHOE-UHFFFAOYSA-N
XLogP1.54
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone (CID 144955069) is ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone is CC.COCC(=O)N1CCc2onc(C)c2C1.
What is the InChIKey of ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is VRQHUKKNZIRHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.C2H6/c1-7-8-5-12(10(13)6-14-2)4-3-9(8)15-11-7;1-2/h3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 240.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 144955069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).