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

C16H16N4O3S — CID 71857356

IUPAC4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(OC)c(NCc2noc(-c3cccs3)n2)c1
InChIInChI=1S/C16H16N4O3S/c1-17-15(21)10-5-6-12(22-2)11(8-10)18-9-14-19-16(23-20-14)13-4-3-7-24-13/h3-8,18H,9H2,1-2H3,(H,17,21)
InChIKeyCCWOODFDKXNXAQ-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.78
Rot. Bonds6

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

4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide (PubChem CID 71857356) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
PubChem CID71857356
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(OC)c(NCc2noc(-c3cccs3)n2)c1
InChIInChI=1S/C16H16N4O3S/c1-17-15(21)10-5-6-12(22-2)11(8-10)18-9-14-19-16(23-20-14)13-4-3-7-24-13/h3-8,18H,9H2,1-2H3,(H,17,21)
InChIKeyCCWOODFDKXNXAQ-UHFFFAOYSA-N
XLogP2.78
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
The IUPAC name of 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide (CID 71857356) is 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide is CNC(=O)c1ccc(OC)c(NCc2noc(-c3cccs3)n2)c1.
What is the InChIKey of 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
The InChIKey is CCWOODFDKXNXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-17-15(21)10-5-6-12(22-2)11(8-10)18-9-14-19-16(23-20-14)13-4-3-7-24-13/h3-8,18H,9H2,1-2H3,(H,17,21).
What are the key properties of 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide?
4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide has a molecular weight of 344.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide is sourced from PubChem (CID 71857356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).