1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one

C12H18N2O2 — CID 67977978

IUPAC1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCc2oncc2C1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)6-11(15)14-5-4-10-9(8-14)7-13-16-10/h7H,4-6,8H2,1-3H3
InChIKeyQMAMOQPPNKRJOR-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.00
Rot. Bonds1

About 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one

1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one (PubChem CID 67977978) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
PubChem CID67977978
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCc2oncc2C1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)6-11(15)14-5-4-10-9(8-14)7-13-16-10/h7H,4-6,8H2,1-3H3
InChIKeyQMAMOQPPNKRJOR-UHFFFAOYSA-N
XLogP2.00
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one 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 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one (CID 67977978) is 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCc2oncc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one?
The InChIKey is QMAMOQPPNKRJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)6-11(15)14-5-4-10-9(8-14)7-13-16-10/h7H,4-6,8H2,1-3H3.
What are the key properties of 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one?
1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one has a molecular weight of 222.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 67977978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).