3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide

C17H17N5O3 — CID 135458340

IUPAC3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Nc2nonc2Nc2ccccc2)c1O
InChIInChI=1S/C17H17N5O3/c1-22(2)17(24)12-9-6-10-13(14(12)23)19-16-15(20-25-21-16)18-11-7-4-3-5-8-11/h3-10,23H,1-2H3,(H,18,20)(H,19,21)
InChIKeyBTKVIAUIGSHNSS-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.96
Rot. Bonds5

About 3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide

3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 135458340) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
PubChem CID135458340
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Nc2nonc2Nc2ccccc2)c1O
InChIInChI=1S/C17H17N5O3/c1-22(2)17(24)12-9-6-10-13(14(12)23)19-16-15(20-25-21-16)18-11-7-4-3-5-8-11/h3-10,23H,1-2H3,(H,18,20)(H,19,21)
InChIKeyBTKVIAUIGSHNSS-UHFFFAOYSA-N
XLogP2.96
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide (CID 135458340) is 3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Nc2nonc2Nc2ccccc2)c1O.
What is the InChIKey of 3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is BTKVIAUIGSHNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-22(2)17(24)12-9-6-10-13(14(12)23)19-16-15(20-25-21-16)18-11-7-4-3-5-8-11/h3-10,23H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 339.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-anilino-1,2,5-oxadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 135458340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).