N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine

C23H28N2O2 — CID 20723597

About N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine

N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine (PubChem CID 20723597) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine.

Molecular Properties

• Compound Name: N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine
• PubChem CID: 20723597
• Molecular Formula: C23H28N2O2
• Molecular Weight: 364.49 g/mol
• Exact Mass: 364.22
• IUPAC Name: N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(C(C)NC(C)C)cc1
• InChI: InChI=1S/C23H28N2O2/c1-16(2)24-17(3)19-10-12-21(13-11-19)26-15-14-22-18(4)27-23(25-22)20-8-6-5-7-9-20/h5-13,16-17,24H,14-15H2,1-4H3
• InChIKey: NFXGXEDGUNISKM-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 47.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.49
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine?

The IUPAC name of N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine (CID 20723597) is N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine.

What is the SMILES notation for N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine?

The canonical SMILES for N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine is Cc1oc(-c2ccccc2)nc1CCOc1ccc(C(C)NC(C)C)cc1.

What is the InChIKey of N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine?

The InChIKey is NFXGXEDGUNISKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(2)24-17(3)19-10-12-21(13-11-19)26-15-14-22-18(4)27-23(25-22)20-8-6-5-7-9-20/h5-13,16-17,24H,14-15H2,1-4H3.

What are the key properties of N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine?

N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine has a molecular weight of 364.49 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 20723597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).