3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one

C9H16N2O2 — CID 18685002

IUPAC3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
SMILESCN1CCC2OC(=O)N(C)C2(C)C1
InChIInChI=1S/C9H16N2O2/c1-9-6-10(2)5-4-7(9)13-8(12)11(9)3/h7H,4-6H2,1-3H3
InChIKeyNKAXNJCDXOMLMN-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.53
Rot. Bonds

About 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one

3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one (PubChem CID 18685002) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
PubChem CID18685002
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
SMILESCN1CCC2OC(=O)N(C)C2(C)C1
InChIInChI=1S/C9H16N2O2/c1-9-6-10(2)5-4-7(9)13-8(12)11(9)3/h7H,4-6H2,1-3H3
InChIKeyNKAXNJCDXOMLMN-UHFFFAOYSA-N
XLogP0.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one with MolForge

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Related Compounds

3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729884
3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685017
3,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685051
3,5-Dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685091
3,5-Dimethyl-3a-(2-methyliminoethyl)-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685092
7,8a-Dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 18685122
3a-(Aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685151
N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide
CID 18685180
7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 58919228
1,1,7-Trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 59302724
N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide
CID 59894326
tert-butyl (1R,8aR)-1-methyl-1-propan-2-yl-5,6,8,8a-tetrahydro-3H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylate
CID 66804367

Frequently Asked Questions

What is the IUPAC name of 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
The IUPAC name of 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one (CID 18685002) is 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
The canonical SMILES for 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one is CN1CCC2OC(=O)N(C)C2(C)C1.
What is the InChIKey of 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
The InChIKey is NKAXNJCDXOMLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9-6-10(2)5-4-7(9)13-8(12)11(9)3/h7H,4-6H2,1-3H3.
What are the key properties of 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18685002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).