2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline

C28H30N4O2 — CID 146301557

About 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline

2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline (PubChem CID 146301557) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline
• PubChem CID: 146301557
• Molecular Formula: C28H30N4O2
• Molecular Weight: 454.57 g/mol
• Exact Mass: 454.24
• IUPAC Name: 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline
• SMILES: CC(C)CCc1nc(-c2cccc(Nc3ccc(OCc4ccccn4)cc3C3CC3)c2)no1
• InChI: InChI=1S/C28H30N4O2/c1-19(2)9-14-27-31-28(32-34-27)21-6-5-8-22(16-21)30-26-13-12-24(17-25(26)20-10-11-20)33-18-23-7-3-4-15-29-23/h3-8,12-13,15-17,19-20,30H,9-11,14,18H2,1-2H3
• InChIKey: OCDNHBFFOVOSEE-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 73.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.57
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline?

The IUPAC name of 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline (CID 146301557) is 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline.

What is the SMILES notation for 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline?

The canonical SMILES for 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline is CC(C)CCc1nc(-c2cccc(Nc3ccc(OCc4ccccn4)cc3C3CC3)c2)no1.

What is the InChIKey of 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline?

The InChIKey is OCDNHBFFOVOSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-19(2)9-14-27-31-28(32-34-27)21-6-5-8-22(16-21)30-26-13-12-24(17-25(26)20-10-11-20)33-18-23-7-3-4-15-29-23/h3-8,12-13,15-17,19-20,30H,9-11,14,18H2,1-2H3.

What are the key properties of 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline?

2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline has a molecular weight of 454.57 g/mol, XLogP of 6.92, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline is sourced from PubChem (CID 146301557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).