N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C13H17N3O3 — CID 78836038

IUPACN-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCON(C)C(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C13H17N3O3/c1-7(2)10-6-9(13(17)16(4)18-5)11-8(3)15-19-12(11)14-10/h6-7H,1-5H3
InChIKeyVAFOVXUMNZMGKF-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.29
Rot. Bonds3

About N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78836038) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78836038
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCON(C)C(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C13H17N3O3/c1-7(2)10-6-9(13(17)16(4)18-5)11-8(3)15-19-12(11)14-10/h6-7H,1-5H3
InChIKeyVAFOVXUMNZMGKF-UHFFFAOYSA-N
XLogP2.29
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694
N-(1-aminopropan-2-yl)-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119582443
4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347045
N-[1-(3,4-difluorophenyl)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836838
N-ethyl-N-(2-hydroxyethyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78855535
N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836039
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831346
N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831683
N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78865541
N,3-dimethyl-6-propan-2-yl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119551327
N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78833357
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830850

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78836038) is N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CON(C)C(=O)c1cc(C(C)C)nc2onc(C)c12.
What is the InChIKey of N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VAFOVXUMNZMGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7(2)10-6-9(13(17)16(4)18-5)11-8(3)15-19-12(11)14-10/h6-7H,1-5H3.
What are the key properties of N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78836038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).