1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine

C16H23N3O2 — CID 63325984

About 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine

1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine (PubChem CID 63325984) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

• Compound Name: 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
• PubChem CID: 63325984
• Molecular Formula: C16H23N3O2
• Molecular Weight: 289.38 g/mol
• Exact Mass: 289.18
• IUPAC Name: 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
• SMILES: Cc1ccc(OCc2noc(C(C)C)n2)c(CC(C)N)c1
• InChI: InChI=1S/C16H23N3O2/c1-10(2)16-18-15(19-21-16)9-20-14-6-5-11(3)7-13(14)8-12(4)17/h5-7,10,12H,8-9,17H2,1-4H3
• InChIKey: ZQBCPKKZWWRKHO-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 74.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.38
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?

The IUPAC name of 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine (CID 63325984) is 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine.

What is the SMILES notation for 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?

The canonical SMILES for 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine is Cc1ccc(OCc2noc(C(C)C)n2)c(CC(C)N)c1.

What is the InChIKey of 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?

The InChIKey is ZQBCPKKZWWRKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)16-18-15(19-21-16)9-20-14-6-5-11(3)7-13(14)8-12(4)17/h5-7,10,12H,8-9,17H2,1-4H3.

What are the key properties of 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?

1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 63325984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).