3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one

C11H21N3O2 — CID 18685091

IUPAC3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
SMILESCNCCC12CN(C)CCC1OC(=O)N2C
InChIInChI=1S/C11H21N3O2/c1-12-6-5-11-8-13(2)7-4-9(11)16-10(15)14(11)3/h9,12H,4-8H2,1-3H3
InChIKeyCGFAENZNSMDVQT-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.12
Rot. Bonds3

About 3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one

3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one (PubChem CID 18685091) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
PubChem CID18685091
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
SMILESCNCCC12CN(C)CCC1OC(=O)N2C
InChIInChI=1S/C11H21N3O2/c1-12-6-5-11-8-13(2)7-4-9(11)16-10(15)14(11)3/h9,12H,4-8H2,1-3H3
InChIKeyCGFAENZNSMDVQT-UHFFFAOYSA-N
XLogP0.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
The IUPAC name of 3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one (CID 18685091) is 3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
The canonical SMILES for 3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one is CNCCC12CN(C)CCC1OC(=O)N2C.
What is the InChIKey of 3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
The InChIKey is CGFAENZNSMDVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-12-6-5-11-8-13(2)7-4-9(11)16-10(15)14(11)3/h9,12H,4-8H2,1-3H3.
What are the key properties of 3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one?
3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one has a molecular weight of 227.31 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18685091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).