5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine

C26H28N4O2 — CID 11711628

About 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine

5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 11711628) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 11711628
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine
• SMILES: CC(C)(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnc(N)o2)cc1
• InChI: InChI=1S/C26H28N4O2/c1-25(2,3)26(4,19-10-8-18(9-11-19)23-29-30-24(27)32-23)20-12-14-22(15-13-20)31-17-21-7-5-6-16-28-21/h5-16H,17H2,1-4H3,(H2,27,30)
• InChIKey: AZPQKONOVODJNP-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 87.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine (CID 11711628) is 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine is CC(C)(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnc(N)o2)cc1.

What is the InChIKey of 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine?

The InChIKey is AZPQKONOVODJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-25(2,3)26(4,19-10-8-18(9-11-19)23-29-30-24(27)32-23)20-12-14-22(15-13-20)31-17-21-7-5-6-16-28-21/h5-16H,17H2,1-4H3,(H2,27,30).

What are the key properties of 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine?

5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 428.54 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11711628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).