N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide

C13H23N3O3 — CID 18685180

IUPACN-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCC12CN(C)CCC1OC(=O)N2C
InChIInChI=1S/C13H23N3O3/c1-10(17)15(3)8-6-13-9-14(2)7-5-11(13)19-12(18)16(13)4/h11H,5-9H2,1-4H3
InChIKeyADYJPUOASJKEBE-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.38
Rot. Bonds3

About N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide

N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide (PubChem CID 18685180) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide
PubChem CID18685180
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCC12CN(C)CCC1OC(=O)N2C
InChIInChI=1S/C13H23N3O3/c1-10(17)15(3)8-6-13-9-14(2)7-5-11(13)19-12(18)16(13)4/h11H,5-9H2,1-4H3
InChIKeyADYJPUOASJKEBE-UHFFFAOYSA-N
XLogP0.38
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide?
The IUPAC name of 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) is N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide is CC(=O)N(C)CCC12CN(C)CCC1OC(=O)N2C.
What is the InChIKey of N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide?
The InChIKey is ADYJPUOASJKEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(17)15(3)8-6-13-9-14(2)7-5-11(13)19-12(18)16(13)4/h11H,5-9H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide?
N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide has a molecular weight of 269.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 18685180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).