6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide

C11H10N4O4 — CID 103543458

IUPAC6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1nnc(NC(=O)c2cc3c(cc2N)OCO3)o1
InChIInChI=1S/C11H10N4O4/c1-5-14-15-11(19-5)13-10(16)6-2-8-9(3-7(6)12)18-4-17-8/h2-3H,4,12H2,1H3,(H,13,15,16)
InChIKeyLICOMPODDCEOCD-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.94
Rot. Bonds2

About 6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide

6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 103543458) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID103543458
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1nnc(NC(=O)c2cc3c(cc2N)OCO3)o1
InChIInChI=1S/C11H10N4O4/c1-5-14-15-11(19-5)13-10(16)6-2-8-9(3-7(6)12)18-4-17-8/h2-3H,4,12H2,1H3,(H,13,15,16)
InChIKeyLICOMPODDCEOCD-UHFFFAOYSA-N
XLogP0.94
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CID 103543458) is 6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is Cc1nnc(NC(=O)c2cc3c(cc2N)OCO3)o1.
What is the InChIKey of 6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is LICOMPODDCEOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-5-14-15-11(19-5)13-10(16)6-2-8-9(3-7(6)12)18-4-17-8/h2-3H,4,12H2,1H3,(H,13,15,16).
What are the key properties of 6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 103543458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).