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

C15H14N4O3S — CID 75378223

IUPAC4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1noc(-c2ccsc2)n1
InChIInChI=1S/C15H14N4O3S/c1-21-12-3-2-9(14(16)20)6-11(12)17-7-13-18-15(22-19-13)10-4-5-23-8-10/h2-6,8,17H,7H2,1H3,(H2,16,20)
InChIKeyQWOHXASDJKNPIW-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.52
Rot. Bonds6

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

4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide (PubChem CID 75378223) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
PubChem CID75378223
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1noc(-c2ccsc2)n1
InChIInChI=1S/C15H14N4O3S/c1-21-12-3-2-9(14(16)20)6-11(12)17-7-13-18-15(22-19-13)10-4-5-23-8-10/h2-6,8,17H,7H2,1H3,(H2,16,20)
InChIKeyQWOHXASDJKNPIW-UHFFFAOYSA-N
XLogP2.52
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
The IUPAC name of 4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide (CID 75378223) is 4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide.
What is the SMILES notation for 4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
The canonical SMILES for 4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide is COc1ccc(C(N)=O)cc1NCc1noc(-c2ccsc2)n1.
What is the InChIKey of 4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
The InChIKey is QWOHXASDJKNPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-21-12-3-2-9(14(16)20)6-11(12)17-7-13-18-15(22-19-13)10-4-5-23-8-10/h2-6,8,17H,7H2,1H3,(H2,16,20).
What are the key properties of 4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide has a molecular weight of 330.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide is sourced from PubChem (CID 75378223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).