N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide

C15H14N4O3S — CID 46190556

IUPACN-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
SMILESO=C(NO)c1ccc(CNCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H14N4O3S/c20-15(18-21)11-5-3-10(4-6-11)8-16-9-13-17-14(19-22-13)12-2-1-7-23-12/h1-7,16,21H,8-9H2,(H,18,20)
InChIKeyVENKYRVDNRMBJI-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.21
Rot. Bonds6

About N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide

N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide (PubChem CID 46190556) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
PubChem CID46190556
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
SMILESO=C(NO)c1ccc(CNCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H14N4O3S/c20-15(18-21)11-5-3-10(4-6-11)8-16-9-13-17-14(19-22-13)12-2-1-7-23-12/h1-7,16,21H,8-9H2,(H,18,20)
InChIKeyVENKYRVDNRMBJI-UHFFFAOYSA-N
XLogP2.21
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide (CID 46190556) is N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide is O=C(NO)c1ccc(CNCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
The InChIKey is VENKYRVDNRMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c20-15(18-21)11-5-3-10(4-6-11)8-16-9-13-17-14(19-22-13)12-2-1-7-23-12/h1-7,16,21H,8-9H2,(H,18,20).
What are the key properties of N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide has a molecular weight of 330.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 46190556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).