2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

C21H20N6O3 — CID 31309262

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (PubChem CID 31309262) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
• PubChem CID: 31309262
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
• SMILES: Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)no1
• InChI: InChI=1S/C21H20N6O3/c1-14(16-7-9-17(10-8-16)27-13-22-12-23-27)24-21(28)18-5-3-4-6-19(18)29-11-20-25-15(2)30-26-20/h3-10,12-14H,11H2,1-2H3,(H,24,28)/t14-/m1/s1
• InChIKey: MKAHMJZPFVJEHM-CQSZACIVSA-N
• XLogP: 3.03
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (CID 31309262) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.

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

The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)no1.

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

The InChIKey is MKAHMJZPFVJEHM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-14(16-7-9-17(10-8-16)27-13-22-12-23-27)24-21(28)18-5-3-4-6-19(18)29-11-20-25-15(2)30-26-20/h3-10,12-14H,11H2,1-2H3,(H,24,28)/t14-/m1/s1.

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

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide has a molecular weight of 404.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 31309262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).