N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C25H20N4O3S — CID 16598028

About N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 16598028) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
• PubChem CID: 16598028
• Molecular Formula: C25H20N4O3S
• Molecular Weight: 456.53 g/mol
• Exact Mass: 456.13
• IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
• SMILES: Cc1nc(COc2ccccc2C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)no1
• InChI: InChI=1S/C25H20N4O3S/c1-16-26-23(29-32-16)15-31-21-8-4-2-6-19(21)25(30)27-18-12-10-17(11-13-18)14-24-28-20-7-3-5-9-22(20)33-24/h2-13H,14-15H2,1H3,(H,27,30)
• InChIKey: YDPZHXLFKRUKEV-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.53
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?

The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 16598028) is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?

The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccccc2C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)no1.

What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?

The InChIKey is YDPZHXLFKRUKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c1-16-26-23(29-32-16)15-31-21-8-4-2-6-19(21)25(30)27-18-12-10-17(11-13-18)14-24-28-20-7-3-5-9-22(20)33-24/h2-13H,14-15H2,1H3,(H,27,30).

What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 456.53 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 16598028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).