methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate

C33H34N2O7 — CID 152924266

About methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate

methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate (PubChem CID 152924266) has the molecular formula C33H34N2O7 and a molecular weight of 570.64 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate
• PubChem CID: 152924266
• Molecular Formula: C33H34N2O7
• Molecular Weight: 570.64 g/mol
• Exact Mass: 570.24
• IUPAC Name: methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate
• SMILES: COC(=O)CN(Cc1ccc(OCC(C)/C=C/c2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1
• InChI: InChI=1S/C33H34N2O7/c1-23(10-19-30-24(2)41-32(34-30)26-8-6-5-7-9-26)22-40-28-13-11-25(12-14-28)20-35(21-31(36)39-4)33(37)42-29-17-15-27(38-3)16-18-29/h5-19,23H,20-22H2,1-4H3/b19-10+
• InChIKey: UJRRTJNNYLUAHN-VXLYETTFSA-N
• XLogP: 6.56
• TPSA: 100.33 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.64
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate?

The IUPAC name of methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate (CID 152924266) is methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate.

What is the SMILES notation for methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate?

The canonical SMILES for methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate is COC(=O)CN(Cc1ccc(OCC(C)/C=C/c2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1.

What is the InChIKey of methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate?

The InChIKey is UJRRTJNNYLUAHN-VXLYETTFSA-N. The full InChI is InChI=1S/C33H34N2O7/c1-23(10-19-30-24(2)41-32(34-30)26-8-6-5-7-9-26)22-40-28-13-11-25(12-14-28)20-35(21-31(36)39-4)33(37)42-29-17-15-27(38-3)16-18-29/h5-19,23H,20-22H2,1-4H3/b19-10+.

What are the key properties of methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate?

methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate has a molecular weight of 570.64 g/mol, XLogP of 6.56, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate is sourced from PubChem (CID 152924266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).