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

C12H21N3O3 — CID 18685186

IUPACN-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCC12CNCCC1OC(=O)N2C
InChIInChI=1S/C12H21N3O3/c1-9(16)14(2)7-5-12-8-13-6-4-10(12)18-11(17)15(12)3/h10,13H,4-8H2,1-3H3
InChIKeyZWAMYMLCEZOPPT-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.04
Rot. Bonds3

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

N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide (PubChem CID 18685186) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide
PubChem CID18685186
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCC12CNCCC1OC(=O)N2C
InChIInChI=1S/C12H21N3O3/c1-9(16)14(2)7-5-12-8-13-6-4-10(12)18-11(17)15(12)3/h10,13H,4-8H2,1-3H3
InChIKeyZWAMYMLCEZOPPT-UHFFFAOYSA-N
XLogP0.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide (CID 18685186) is N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide is CC(=O)N(C)CCC12CNCCC1OC(=O)N2C.
What is the InChIKey of N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide?
The InChIKey is ZWAMYMLCEZOPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9(16)14(2)7-5-12-8-13-6-4-10(12)18-11(17)15(12)3/h10,13H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide?
N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide is sourced from PubChem (CID 18685186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).