N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide

C24H23N3O4 — CID 95083510

About N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide

N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide (PubChem CID 95083510) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
• PubChem CID: 95083510
• Molecular Formula: C24H23N3O4
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.17
• IUPAC Name: N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
• SMILES: Cc1ccc(Oc2ccc(-c3noc([C@@H](NC(=O)c4ccco4)C(C)C)n3)cc2)cc1
• InChI: InChI=1S/C24H23N3O4/c1-15(2)21(25-23(28)20-5-4-14-29-20)24-26-22(27-31-24)17-8-12-19(13-9-17)30-18-10-6-16(3)7-11-18/h4-15,21H,1-3H3,(H,25,28)/t21-/m0/s1
• InChIKey: FSKDBCKPADXYTK-NRFANRHFSA-N
• XLogP: 5.56
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

The IUPAC name of N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide (CID 95083510) is N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

The canonical SMILES for N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide is Cc1ccc(Oc2ccc(-c3noc([C@@H](NC(=O)c4ccco4)C(C)C)n3)cc2)cc1.

What is the InChIKey of N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

The InChIKey is FSKDBCKPADXYTK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-15(2)21(25-23(28)20-5-4-14-29-20)24-26-22(27-31-24)17-8-12-19(13-9-17)30-18-10-6-16(3)7-11-18/h4-15,21H,1-3H3,(H,25,28)/t21-/m0/s1.

What are the key properties of N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide is sourced from PubChem (CID 95083510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).