N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C20H18N4O5 — CID 53130514

About N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53130514) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 53130514
• Molecular Formula: C20H18N4O5
• Molecular Weight: 394.39 g/mol
• Exact Mass: 394.13
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: COc1cccc(CNC(=O)c2nc(Cn3c(=O)oc4ccc(C)cc43)no2)c1
• InChI: InChI=1S/C20H18N4O5/c1-12-6-7-16-15(8-12)24(20(26)28-16)11-17-22-19(29-23-17)18(25)21-10-13-4-3-5-14(9-13)27-2/h3-9H,10-11H2,1-2H3,(H,21,25)
• InChIKey: KOADNXFGKOFDRR-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 112.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.39
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 53130514) is N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is COc1cccc(CNC(=O)c2nc(Cn3c(=O)oc4ccc(C)cc43)no2)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is KOADNXFGKOFDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-12-6-7-16-15(8-12)24(20(26)28-16)11-17-22-19(29-23-17)18(25)21-10-13-4-3-5-14(9-13)27-2/h3-9H,10-11H2,1-2H3,(H,21,25).

What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?

N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53130514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).