N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H21N3O3 — CID 171315249

IUPACN-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c12
InChIInChI=1S/C22H21N3O3/c1-3-4-11-23-21(26)16-13-17(18-6-5-12-27-18)24-22-19(16)20(25-28-22)15-9-7-14(2)8-10-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,26)
InChIKeyGCJKCZQCJADJSC-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.99
Rot. Bonds6

About N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315249) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315249
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c12
InChIInChI=1S/C22H21N3O3/c1-3-4-11-23-21(26)16-13-17(18-6-5-12-27-18)24-22-19(16)20(25-28-22)15-9-7-14(2)8-10-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,26)
InChIKeyGCJKCZQCJADJSC-UHFFFAOYSA-N
XLogP4.99
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.99
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-butyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46605297
6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315369
6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315319
methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 44824411
6-(furan-2-yl)-N-hexyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46515720
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
6-methyl-3-(4-methylphenyl)-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315644
[2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682004
6-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19615714
6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18154321
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55782068
N-(2-ethyl-2-hydroxybutyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 111463287

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315249) is N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCCNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c12.
What is the InChIKey of N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GCJKCZQCJADJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-4-11-23-21(26)16-13-17(18-6-5-12-27-18)24-22-19(16)20(25-28-22)15-9-7-14(2)8-10-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,26).
What are the key properties of N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).