N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide

C16H11N3O6 — CID 52907937

IUPACN-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C16H11N3O6/c20-14(17-9-3-4-11-13(6-9)25-8-24-11)10-7-23-16(18-10)19-15(21)12-2-1-5-22-12/h1-7H,8H2,(H,17,20)(H,18,19,21)
InChIKeyZHCKNYMESPSARC-UHFFFAOYSA-N
MW341.28 g/mol
LogP2.50
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 52907937) has the molecular formula C16H11N3O6 and a molecular weight of 341.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID52907937
Molecular FormulaC16H11N3O6
Molecular Weight341.28 g/mol
Exact Mass341.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C16H11N3O6/c20-14(17-9-3-4-11-13(6-9)25-8-24-11)10-7-23-16(18-10)19-15(21)12-2-1-5-22-12/h1-7H,8H2,(H,17,20)(H,18,19,21)
InChIKeyZHCKNYMESPSARC-UHFFFAOYSA-N
XLogP2.50
TPSA115.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 52907937) is N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1coc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is ZHCKNYMESPSARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O6/c20-14(17-9-3-4-11-13(6-9)25-8-24-11)10-7-23-16(18-10)19-15(21)12-2-1-5-22-12/h1-7H,8H2,(H,17,20)(H,18,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 341.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52907937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).