4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane

C12H22N2O2 — CID 142177769

IUPAC4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane
SMILESCC.CC.CC1C(=O)N(C)Cc2oncc21
InChIInChI=1S/C8H10N2O2.2C2H6/c1-5-6-3-9-12-7(6)4-10(2)8(5)11;2*1-2/h3,5H,4H2,1-2H3;2*1-2H3
InChIKeyGEHQGOKMIRJTEA-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.80
Rot. Bonds

About 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane

4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane (PubChem CID 142177769) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane.

Molecular Properties

Compound Name4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane
PubChem CID142177769
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane
SMILESCC.CC.CC1C(=O)N(C)Cc2oncc21
InChIInChI=1S/C8H10N2O2.2C2H6/c1-5-6-3-9-12-7(6)4-10(2)8(5)11;2*1-2/h3,5H,4H2,1-2H3;2*1-2H3
InChIKeyGEHQGOKMIRJTEA-UHFFFAOYSA-N
XLogP2.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane with MolForge

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Related Compounds

5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-7-one
CID 54491729
4,6-Ditert-butyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one
CID 60109463
6-tert-butyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
CID 89079762
6-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
CID 89225224
1-(6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl)-3-methylbutan-1-one
CID 89981863
6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
CID 130260620
ethane;4-methyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-5-one;propane
CID 142177745
4,6-Dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one
CID 142177770
tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
CID 167225462
1-(6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl)pentan-1-one
CID 92076519
(6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl)(1-methylpiperidin-4-yl)methanone
CID 92076690
1-(4-(4,5,6,7-Tetrahydroisoxazolo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl)ethanone
CID 92076724

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane?
The IUPAC name of 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane (CID 142177769) is 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane.
What is the SMILES notation for 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane?
The canonical SMILES for 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane is CC.CC.CC1C(=O)N(C)Cc2oncc21.
What is the InChIKey of 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane?
The InChIKey is GEHQGOKMIRJTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.2C2H6/c1-5-6-3-9-12-7(6)4-10(2)8(5)11;2*1-2/h3,5H,4H2,1-2H3;2*1-2H3.
What are the key properties of 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane?
4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane has a molecular weight of 226.32 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one;ethane is sourced from PubChem (CID 142177769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).