2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide

C25H23Cl2N3O3 — CID 93157040

About 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide

2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 93157040) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 93157040
• Molecular Formula: C25H23Cl2N3O3
• Molecular Weight: 484.38 g/mol
• Exact Mass: 483.11
• IUPAC Name: 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
• SMILES: C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C25H23Cl2N3O3/c1-17(18-6-3-2-4-7-18)30(14-19-9-10-20(26)12-22(19)27)15-24-29-23(16-33-24)25(31)28-13-21-8-5-11-32-21/h2-12,16-17H,13-15H2,1H3,(H,28,31)/t17-/m1/s1
• InChIKey: HZHVNYUBVFHMKP-QGZVFWFLSA-N
• XLogP: 6.27
• TPSA: 71.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.38
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 93157040) is 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccc(Cl)cc1Cl.

What is the InChIKey of 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is HZHVNYUBVFHMKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c1-17(18-6-3-2-4-7-18)30(14-19-9-10-20(26)12-22(19)27)15-24-29-23(16-33-24)25(31)28-13-21-8-5-11-32-21/h2-12,16-17H,13-15H2,1H3,(H,28,31)/t17-/m1/s1.

What are the key properties of 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?

2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 484.38 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 93157040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).