N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C16H17N3O3 — CID 51095249

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cnc3onc(C)c3c2)c(C)o1
InChIInChI=1S/C16H17N3O3/c1-8-5-13(11(4)21-8)9(2)18-15(20)12-6-14-10(3)19-22-16(14)17-7-12/h5-7,9H,1-4H3,(H,18,20)
InChIKeyHNHDDOQZHCRKAB-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.23
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 51095249) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID51095249
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cnc3onc(C)c3c2)c(C)o1
InChIInChI=1S/C16H17N3O3/c1-8-5-13(11(4)21-8)9(2)18-15(20)12-6-14-10(3)19-22-16(14)17-7-12/h5-7,9H,1-4H3,(H,18,20)
InChIKeyHNHDDOQZHCRKAB-UHFFFAOYSA-N
XLogP3.23
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 51095249) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1cc(C(C)NC(=O)c2cnc3onc(C)c3c2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is HNHDDOQZHCRKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-8-5-13(11(4)21-8)9(2)18-15(20)12-6-14-10(3)19-22-16(14)17-7-12/h5-7,9H,1-4H3,(H,18,20).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 51095249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).