N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C29H26N4O4 — CID 17171770

About N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 17171770) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
• PubChem CID: 17171770
• Molecular Formula: C29H26N4O4
• Molecular Weight: 494.55 g/mol
• Exact Mass: 494.20
• IUPAC Name: N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc(NC(=O)CCN4C(=O)c5ccccc5C4=O)cc3)o2)cc1
• InChI: InChI=1S/C29H26N4O4/c1-29(2,3)20-12-8-18(9-13-20)25-31-32-26(37-25)19-10-14-21(15-11-19)30-24(34)16-17-33-27(35)22-6-4-5-7-23(22)28(33)36/h4-15H,16-17H2,1-3H3,(H,30,34)
• InChIKey: WTRMAWNNORLHBP-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.55
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?

The IUPAC name of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 17171770) is N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

What is the SMILES notation for N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?

The canonical SMILES for N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is CC(C)(C)c1ccc(-c2nnc(-c3ccc(NC(=O)CCN4C(=O)c5ccccc5C4=O)cc3)o2)cc1.

What is the InChIKey of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?

The InChIKey is WTRMAWNNORLHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-29(2,3)20-12-8-18(9-13-20)25-31-32-26(37-25)19-10-14-21(15-11-19)30-24(34)16-17-33-27(35)22-6-4-5-7-23(22)28(33)36/h4-15H,16-17H2,1-3H3,(H,30,34).

What are the key properties of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?

N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 494.55 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 17171770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).