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

C24H17ClN4O3 — CID 47063516

IUPACN-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12
InChIInChI=1S/C24H17ClN4O3/c1-15-22-19(13-20(21-6-4-12-31-21)27-23(22)32-28-15)24(30)29(14-17-5-2-3-11-26-17)18-9-7-16(25)8-10-18/h2-13H,14H2,1H3
InChIKeyHCAFZQHMOGSNDC-UHFFFAOYSA-N
MW444.88 g/mol
LogP5.69
Rot. Bonds5

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

N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 47063516) has the molecular formula C24H17ClN4O3 and a molecular weight of 444.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID47063516
Molecular FormulaC24H17ClN4O3
Molecular Weight444.88 g/mol
Exact Mass444.10
IUPAC NameN-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12
InChIInChI=1S/C24H17ClN4O3/c1-15-22-19(13-20(21-6-4-12-31-21)27-23(22)32-28-15)24(30)29(14-17-5-2-3-11-26-17)18-9-7-16(25)8-10-18/h2-13H,14H2,1H3
InChIKeyHCAFZQHMOGSNDC-UHFFFAOYSA-N
XLogP5.69
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.88
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 47063516) is N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12.
What is the InChIKey of N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HCAFZQHMOGSNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O3/c1-15-22-19(13-20(21-6-4-12-31-21)27-23(22)32-28-15)24(30)29(14-17-5-2-3-11-26-17)18-9-7-16(25)8-10-18/h2-13H,14H2,1H3.
What are the key properties of N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 444.88 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(furan-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47063516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).