6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H23N3O4 — CID 18154321

IUPAC6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)NCCCOCC(C)C)c12
InChIInChI=1S/C19H23N3O4/c1-12(2)11-24-8-5-7-20-18(23)14-10-15(16-6-4-9-25-16)21-19-17(14)13(3)22-26-19/h4,6,9-10,12H,5,7-8,11H2,1-3H3,(H,20,23)
InChIKeyKTVGCDYCPPMRKR-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.58
Rot. Bonds8

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

6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18154321) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18154321
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)NCCCOCC(C)C)c12
InChIInChI=1S/C19H23N3O4/c1-12(2)11-24-8-5-7-20-18(23)14-10-15(16-6-4-9-25-16)21-19-17(14)13(3)22-26-19/h4,6,9-10,12H,5,7-8,11H2,1-3H3,(H,20,23)
InChIKeyKTVGCDYCPPMRKR-UHFFFAOYSA-N
XLogP3.58
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-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
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
6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133213
N-(2-ethyl-2-hydroxybutyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 111463287
6-(furan-2-yl)-N-(3-methylbutyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315369
[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-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17425774
N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315249
6-(furan-2-yl)-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46632647
6-(furan-2-yl)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30187132

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18154321) is 6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)NCCCOCC(C)C)c12.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KTVGCDYCPPMRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(2)11-24-8-5-7-20-18(23)14-10-15(16-6-4-9-25-16)21-19-17(14)13(3)22-26-19/h4,6,9-10,12H,5,7-8,11H2,1-3H3,(H,20,23).
What are the key properties of 6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18154321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).