N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C23H21N5O4 — CID 46477516

About N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 46477516) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 46477516
• Molecular Formula: C23H21N5O4
• Molecular Weight: 431.45 g/mol
• Exact Mass: 431.16
• IUPAC Name: N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)CC(=O)Nc4cc(C)on4)cc3)o2)c1
• InChI: InChI=1S/C23H21N5O4/c1-14-5-4-6-18(11-14)22-26-25-21(31-22)16-7-9-17(10-8-16)23(30)28(3)13-20(29)24-19-12-15(2)32-27-19/h4-12H,13H2,1-3H3,(H,24,27,29)
• InChIKey: ZWINFYWTXVVYRT-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 114.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.45
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 46477516) is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)CC(=O)Nc4cc(C)on4)cc3)o2)c1.

What is the InChIKey of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is ZWINFYWTXVVYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-14-5-4-6-18(11-14)22-26-25-21(31-22)16-7-9-17(10-8-16)23(30)28(3)13-20(29)24-19-12-15(2)32-27-19/h4-12H,13H2,1-3H3,(H,24,27,29).

What are the key properties of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 431.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 46477516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).