(4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide

C30H29F3N2O4 — CID 23778151

About (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide

(4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide (PubChem CID 23778151) has the molecular formula C30H29F3N2O4 and a molecular weight of 538.57 g/mol. Its IUPAC name is (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide
• PubChem CID: 23778151
• Molecular Formula: C30H29F3N2O4
• Molecular Weight: 538.57 g/mol
• Exact Mass: 538.21
• IUPAC Name: (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide
• SMILES: O=C(NCc1ccc(C(F)(F)F)cc1)[C@@]1(C/C=C/c2ccccc2)COC(c2ccc(OCCCO)cc2)=N1
• InChI: InChI=1S/C30H29F3N2O4/c31-30(32,33)25-13-9-23(10-14-25)20-34-28(37)29(17-4-8-22-6-2-1-3-7-22)21-39-27(35-29)24-11-15-26(16-12-24)38-19-5-18-36/h1-4,6-16,36H,5,17-21H2,(H,34,37)/b8-4+/t29-/m1/s1
• InChIKey: OFUQRNVFNBJXPX-VSFUMNRQSA-N
• XLogP: 5.40
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.57
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide?

The IUPAC name of (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide (CID 23778151) is (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide.

What is the SMILES notation for (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide?

The canonical SMILES for (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)[C@@]1(C/C=C/c2ccccc2)COC(c2ccc(OCCCO)cc2)=N1.

What is the InChIKey of (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide?

The InChIKey is OFUQRNVFNBJXPX-VSFUMNRQSA-N. The full InChI is InChI=1S/C30H29F3N2O4/c31-30(32,33)25-13-9-23(10-14-25)20-34-28(37)29(17-4-8-22-6-2-1-3-7-22)21-39-27(35-29)24-11-15-26(16-12-24)38-19-5-18-36/h1-4,6-16,36H,5,17-21H2,(H,34,37)/b8-4+/t29-/m1/s1.

What are the key properties of (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide?

(4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide has a molecular weight of 538.57 g/mol, XLogP of 5.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[4-(3-hydroxypropoxy)phenyl]-4-[(E)-3-phenylprop-2-enyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23778151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).