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

C8H14N2O2 — CID 18685017

IUPAC3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one
SMILESCN1CCC2OC(=O)NC2(C)C1
InChIInChI=1S/C8H14N2O2/c1-8-5-10(2)4-3-6(8)12-7(11)9-8/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyOZFPOFAZUSSEGD-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.19
Rot. Bonds

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

3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one (PubChem CID 18685017) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one
PubChem CID18685017
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one
SMILESCN1CCC2OC(=O)NC2(C)C1
InChIInChI=1S/C8H14N2O2/c1-8-5-10(2)4-3-6(8)12-7(11)9-8/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyOZFPOFAZUSSEGD-UHFFFAOYSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one?
The IUPAC name of 3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one (CID 18685017) is 3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one?
The canonical SMILES for 3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one is CN1CCC2OC(=O)NC2(C)C1.
What is the InChIKey of 3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one?
The InChIKey is OZFPOFAZUSSEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8-5-10(2)4-3-6(8)12-7(11)9-8/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one?
3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18685017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).