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

C13H12N2O4 — CID 3238201

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H12N2O4/c1-8-12(19-7-14-8)13(16)15-9-2-3-10-11(6-9)18-5-4-17-10/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyXHTIJENJZVFZDD-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.01
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 3238201) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID3238201
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H12N2O4/c1-8-12(19-7-14-8)13(16)15-9-2-3-10-11(6-9)18-5-4-17-10/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyXHTIJENJZVFZDD-UHFFFAOYSA-N
XLogP2.01
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.01
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)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide (CID 3238201) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is XHTIJENJZVFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-12(19-7-14-8)13(16)15-9-2-3-10-11(6-9)18-5-4-17-10/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 2.01, 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)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 3238201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).