N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide

C12H19N3O4 — CID 91099149

IUPACN-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide
SMILESCOC(CNC(=O)c1nc2c(o1)CCN(C)C2)OC
InChIInChI=1S/C12H19N3O4/c1-15-5-4-9-8(7-15)14-12(19-9)11(16)13-6-10(17-2)18-3/h10H,4-7H2,1-3H3,(H,13,16)
InChIKeyIRIXQEOJABKXIM-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.01
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide

N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide (PubChem CID 91099149) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide
PubChem CID91099149
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide
SMILESCOC(CNC(=O)c1nc2c(o1)CCN(C)C2)OC
InChIInChI=1S/C12H19N3O4/c1-15-5-4-9-8(7-15)14-12(19-9)11(16)13-6-10(17-2)18-3/h10H,4-7H2,1-3H3,(H,13,16)
InChIKeyIRIXQEOJABKXIM-UHFFFAOYSA-N
XLogP0.01
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide (CID 91099149) is N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide is COC(CNC(=O)c1nc2c(o1)CCN(C)C2)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide?
The InChIKey is IRIXQEOJABKXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-15-5-4-9-8(7-15)14-12(19-9)11(16)13-6-10(17-2)18-3/h10H,4-7H2,1-3H3,(H,13,16).
What are the key properties of N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide?
N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 91099149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).