4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide

C11H12N4O4 — CID 17085500

IUPAC4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nonc2N)cc1OC
InChIInChI=1S/C11H12N4O4/c1-17-7-4-3-6(5-8(7)18-2)13-11(16)9-10(12)15-19-14-9/h3-5H,1-2H3,(H2,12,15)(H,13,16)
InChIKeyPTSYYGFVIYPNIT-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.92
Rot. Bonds4

About 4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 17085500) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID17085500
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nonc2N)cc1OC
InChIInChI=1S/C11H12N4O4/c1-17-7-4-3-6(5-8(7)18-2)13-11(16)9-10(12)15-19-14-9/h3-5H,1-2H3,(H2,12,15)(H,13,16)
InChIKeyPTSYYGFVIYPNIT-UHFFFAOYSA-N
XLogP0.92
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 110484954
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688661
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688517
4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688148
(3,4-dimethoxyphenyl)urea
CID 21197430
4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687601
N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392915
4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 17085500) is 4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide is COc1ccc(NC(=O)c2nonc2N)cc1OC.
What is the InChIKey of 4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is PTSYYGFVIYPNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-17-7-4-3-6(5-8(7)18-2)13-11(16)9-10(12)15-19-14-9/h3-5H,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 264.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 17085500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).