N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide

C13H11N3O3 — CID 4898255

IUPACN-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3nonc23)c(C)o1
InChIInChI=1S/C13H11N3O3/c1-7-6-9(8(2)18-7)13(17)14-10-4-3-5-11-12(10)16-19-15-11/h3-6H,1-2H3,(H,14,17)
InChIKeyFTAJOHBPNLSOIA-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.68
Rot. Bonds2

About N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide

N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 4898255) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID4898255
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3nonc23)c(C)o1
InChIInChI=1S/C13H11N3O3/c1-7-6-9(8(2)18-7)13(17)14-10-4-3-5-11-12(10)16-19-15-11/h3-6H,1-2H3,(H,14,17)
InChIKeyFTAJOHBPNLSOIA-UHFFFAOYSA-N
XLogP2.68
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide (CID 4898255) is N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cccc3nonc23)c(C)o1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FTAJOHBPNLSOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-7-6-9(8(2)18-7)13(17)14-10-4-3-5-11-12(10)16-19-15-11/h3-6H,1-2H3,(H,14,17).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 4898255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).