(R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride

C19H25ClN6O2 — CID 154916600

About (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride

(R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride (PubChem CID 154916600) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

• Compound Name: (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride
• PubChem CID: 154916600
• Molecular Formula: C19H25ClN6O2
• Molecular Weight: 404.90 g/mol
• Exact Mass: 404.17
• IUPAC Name: (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride
• SMILES: CC(C)c1noc(C2CCN(c3nnc([C@H](N)c4ccccc4)o3)CC2)n1.Cl
• InChI: InChI=1S/C19H24N6O2.ClH/c1-12(2)16-21-17(27-24-16)14-8-10-25(11-9-14)19-23-22-18(26-19)15(20)13-6-4-3-5-7-13;/h3-7,12,14-15H,8-11,20H2,1-2H3;1H/t15-;/m1./s1
• InChIKey: KIWOQKMAOKACRT-XFULWGLBSA-N
• XLogP: 3.43
• TPSA: 107.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.90
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride?

The IUPAC name of (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride (CID 154916600) is (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride.

What is the SMILES notation for (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride?

The canonical SMILES for (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride is CC(C)c1noc(C2CCN(c3nnc([C@H](N)c4ccccc4)o3)CC2)n1.Cl.

What is the InChIKey of (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride?

The InChIKey is KIWOQKMAOKACRT-XFULWGLBSA-N. The full InChI is InChI=1S/C19H24N6O2.ClH/c1-12(2)16-21-17(27-24-16)14-8-10-25(11-9-14)19-23-22-18(26-19)15(20)13-6-4-3-5-7-13;/h3-7,12,14-15H,8-11,20H2,1-2H3;1H/t15-;/m1./s1.

What are the key properties of (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride?

(R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-phenyl-[5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 154916600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).