N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide

C16H11N3O4 — CID 53143107

IUPACN-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)no1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H11N3O4/c20-16(10-4-5-13-14(7-10)22-9-21-13)18-15-8-12(19-23-15)11-3-1-2-6-17-11/h1-8H,9H2,(H,18,20)
InChIKeyROENLPFMRHWNTR-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.72
Rot. Bonds3

About N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide

N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 53143107) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID53143107
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC NameN-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)no1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H11N3O4/c20-16(10-4-5-13-14(7-10)22-9-21-13)18-15-8-12(19-23-15)11-3-1-2-6-17-11/h1-8H,9H2,(H,18,20)
InChIKeyROENLPFMRHWNTR-UHFFFAOYSA-N
XLogP2.72
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 53143344
N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681883
3,5-dimethyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
CID 53143097
2,4-dimethyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
CID 53143120
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 35532209
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113042002
pyridin-2-yl 1,3-benzodioxole-5-carboxylate
CID 35207859
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1164335
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113012694
N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 669575
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 98065279

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide (CID 53143107) is N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1cc(-c2ccccn2)no1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is ROENLPFMRHWNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-16(10-4-5-13-14(7-10)22-9-21-13)18-15-8-12(19-23-15)11-3-1-2-6-17-11/h1-8H,9H2,(H,18,20).
What are the key properties of N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide?
N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 309.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 53143107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).