N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C13H17N3O2 — CID 51302068

IUPACN-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)c2c(C)noc2n1
InChIInChI=1S/C13H17N3O2/c1-7-6-9(11(17)15-13(3,4)5)10-8(2)16-18-12(10)14-7/h6H,1-5H3,(H,15,17)
InChIKeyKPSHODLQJPUYTH-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.37
Rot. Bonds1

About N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51302068) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51302068
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)c2c(C)noc2n1
InChIInChI=1S/C13H17N3O2/c1-7-6-9(11(17)15-13(3,4)5)10-8(2)16-18-12(10)14-7/h6H,1-5H3,(H,15,17)
InChIKeyKPSHODLQJPUYTH-UHFFFAOYSA-N
XLogP2.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 64670553
N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71934582
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 115612894
N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26062148
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-(3,5-dimethyl-1H-pyrazol-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43546792
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
N-(2,6-difluorophenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52902662
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244
3,6-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119388173
3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36751698

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 51302068) is N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC(C)(C)C)c2c(C)noc2n1.
What is the InChIKey of N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KPSHODLQJPUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-6-9(11(17)15-13(3,4)5)10-8(2)16-18-12(10)14-7/h6H,1-5H3,(H,15,17).
What are the key properties of N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51302068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).