N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C17H25N3O2 — CID 78836039

IUPACN-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C17H25N3O2/c1-6-8-9-20(7-2)17(21)13-10-14(11(3)4)18-16-15(13)12(5)19-22-16/h10-11H,6-9H2,1-5H3
InChIKeyKWCSTCBDOSIZCD-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.92
Rot. Bonds6

About N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78836039) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78836039
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C17H25N3O2/c1-6-8-9-20(7-2)17(21)13-10-14(11(3)4)18-16-15(13)12(5)19-22-16/h10-11H,6-9H2,1-5H3
InChIKeyKWCSTCBDOSIZCD-UHFFFAOYSA-N
XLogP3.92
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78855535
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
4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347045
N-(1-aminopropan-2-yl)-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119582443
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830850
N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25467427
N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836038
3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694
N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831721
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]acetic acid
CID 61022500
N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119406041
N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78865541

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78836039) is N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCCN(CC)C(=O)c1cc(C(C)C)nc2onc(C)c12.
What is the InChIKey of N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KWCSTCBDOSIZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-6-8-9-20(7-2)17(21)13-10-14(11(3)4)18-16-15(13)12(5)19-22-16/h10-11H,6-9H2,1-5H3.
What are the key properties of N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78836039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).