N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide

C12H10N2O4 — CID 2811618

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccno1
InChIInChI=1S/C12H10N2O4/c15-12(10-3-4-13-18-10)14-8-1-2-9-11(7-8)17-6-5-16-9/h1-4,7H,5-6H2,(H,14,15)
InChIKeyOAMGZMQREQARBF-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.70
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide (PubChem CID 2811618) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide
PubChem CID2811618
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccno1
InChIInChI=1S/C12H10N2O4/c15-12(10-3-4-13-18-10)14-8-1-2-9-11(7-8)17-6-5-16-9/h1-4,7H,5-6H2,(H,14,15)
InChIKeyOAMGZMQREQARBF-UHFFFAOYSA-N
XLogP1.70
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide (CID 2811618) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccno1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is OAMGZMQREQARBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-12(10-3-4-13-18-10)14-8-1-2-9-11(7-8)17-6-5-16-9/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 246.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2811618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).