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

C11H18N2O2 — CID 144955043

IUPACethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCC.CC(=O)N1CCc2onc(C)c2C1
InChIInChI=1S/C9H12N2O2.C2H6/c1-6-8-5-11(7(2)12)4-3-9(8)13-10-6;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyNKDWBHJKBMOPRK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.91
Rot. Bonds

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

ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 144955043) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID144955043
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCC.CC(=O)N1CCc2onc(C)c2C1
InChIInChI=1S/C9H12N2O2.C2H6/c1-6-8-5-11(7(2)12)4-3-9(8)13-10-6;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyNKDWBHJKBMOPRK-UHFFFAOYSA-N
XLogP1.91
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone (CID 144955043) is ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone is CC.CC(=O)N1CCc2onc(C)c2C1.
What is the InChIKey of ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is NKDWBHJKBMOPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.C2H6/c1-6-8-5-11(7(2)12)4-3-9(8)13-10-6;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 210.28 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 144955043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).