5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide

C21H19N3O4 — CID 134809137

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2cc(-c3c(C)noc3C)nc(-c3cccc(CO)c3)c2o1
InChIInChI=1S/C21H19N3O4/c1-11-18(12(2)28-24-11)16-8-15-9-17(21(26)22-3)27-20(15)19(23-16)14-6-4-5-13(7-14)10-25/h4-9,25H,10H2,1-3H3,(H,22,26)
InChIKeyUHSIJYAZUGAYCY-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.62
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide (PubChem CID 134809137) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide
PubChem CID134809137
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2cc(-c3c(C)noc3C)nc(-c3cccc(CO)c3)c2o1
InChIInChI=1S/C21H19N3O4/c1-11-18(12(2)28-24-11)16-8-15-9-17(21(26)22-3)27-20(15)19(23-16)14-6-4-5-13(7-14)10-25/h4-9,25H,10H2,1-3H3,(H,22,26)
InChIKeyUHSIJYAZUGAYCY-UHFFFAOYSA-N
XLogP3.62
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide (CID 134809137) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2cc(-c3c(C)noc3C)nc(-c3cccc(CO)c3)c2o1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide?
The InChIKey is UHSIJYAZUGAYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-11-18(12(2)28-24-11)16-8-15-9-17(21(26)22-3)27-20(15)19(23-16)14-6-4-5-13(7-14)10-25/h4-9,25H,10H2,1-3H3,(H,22,26).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[3-(hydroxymethyl)phenyl]-N-methylfuro[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 134809137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).