N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C17H25N3O3 — CID 30103284

IUPACN-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCOCCCNC(=O)c1cnc2onc(C(C)C)c2c1
InChIInChI=1S/C17H25N3O3/c1-4-5-8-22-9-6-7-18-16(21)13-10-14-15(12(2)3)20-23-17(14)19-11-13/h10-12H,4-9H2,1-3H3,(H,18,21)
InChIKeyFKBFJFUCAMLFBG-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.28
Rot. Bonds9

About N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 30103284) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID30103284
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCOCCCNC(=O)c1cnc2onc(C(C)C)c2c1
InChIInChI=1S/C17H25N3O3/c1-4-5-8-22-9-6-7-18-16(21)13-10-14-15(12(2)3)20-23-17(14)19-11-13/h10-12H,4-9H2,1-3H3,(H,18,21)
InChIKeyFKBFJFUCAMLFBG-UHFFFAOYSA-N
XLogP3.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931383
2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 104682580
N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
CID 87002141
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 124820788
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166337233
N-[1-(3-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166191150
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 30104388
3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
CID 65220171

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 30103284) is N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCCCOCCCNC(=O)c1cnc2onc(C(C)C)c2c1.
What is the InChIKey of N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is FKBFJFUCAMLFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-5-8-22-9-6-7-18-16(21)13-10-14-15(12(2)3)20-23-17(14)19-11-13/h10-12H,4-9H2,1-3H3,(H,18,21).
What are the key properties of N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 30103284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).