methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate

C22H24N2O4 — CID 10714801

About methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate

methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate (PubChem CID 10714801) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate.

Molecular Properties

• Compound Name: methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
• PubChem CID: 10714801
• Molecular Formula: C22H24N2O4
• Molecular Weight: 380.44 g/mol
• Exact Mass: 380.17
• IUPAC Name: methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
• SMILES: COC(=O)[C@@H](N)Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1
• InChI: InChI=1S/C22H24N2O4/c1-15-20(24-21(28-15)17-6-4-3-5-7-17)12-13-27-18-10-8-16(9-11-18)14-19(23)22(25)26-2/h3-11,19H,12-14,23H2,1-2H3/t19-/m0/s1
• InChIKey: CZLIZMMREAPWKD-IBGZPJMESA-N
• XLogP: 3.31
• TPSA: 87.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.44
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?

The IUPAC name of methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate (CID 10714801) is methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate.

What is the SMILES notation for methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?

The canonical SMILES for methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate is COC(=O)[C@@H](N)Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1.

What is the InChIKey of methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?

The InChIKey is CZLIZMMREAPWKD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-20(24-21(28-15)17-6-4-3-5-7-17)12-13-27-18-10-8-16(9-11-18)14-19(23)22(25)26-2/h3-11,19H,12-14,23H2,1-2H3/t19-/m0/s1.

What are the key properties of methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?

methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate has a molecular weight of 380.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate is sourced from PubChem (CID 10714801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).