N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C15H21N3O2 — CID 115612894

IUPACN-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCC(CC)CNC(=O)c1cc(C)nc2onc(C)c12
InChIInChI=1S/C15H21N3O2/c1-5-11(6-2)8-16-14(19)12-7-9(3)17-15-13(12)10(4)18-20-15/h7,11H,5-6,8H2,1-4H3,(H,16,19)
InChIKeyIVDVHZJMKQBITN-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.01
Rot. Bonds5

About N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 115612894) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID115612894
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCC(CC)CNC(=O)c1cc(C)nc2onc(C)c12
InChIInChI=1S/C15H21N3O2/c1-5-11(6-2)8-16-14(19)12-7-9(3)17-15-13(12)10(4)18-20-15/h7,11H,5-6,8H2,1-4H3,(H,16,19)
InChIKeyIVDVHZJMKQBITN-UHFFFAOYSA-N
XLogP3.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95761796
3,6-dimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821964
N-(1-hydroxy-3-methylpentan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171148123
3,6-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71898052
N-(5-hydroxypentyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107318381
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068
3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 60735807
N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 167941876
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 99795802
N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71934582

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 115612894) is N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCC(CC)CNC(=O)c1cc(C)nc2onc(C)c12.
What is the InChIKey of N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IVDVHZJMKQBITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-11(6-2)8-16-14(19)12-7-9(3)17-15-13(12)10(4)18-20-15/h7,11H,5-6,8H2,1-4H3,(H,16,19).
What are the key properties of N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 115612894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).