5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

C27H25N3O3 — CID 24901439

IUPAC5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC(C)c3ccccc3)cc2)c1
InChIInChI=1S/C27H25N3O3/c1-18(21-7-4-3-5-8-21)29-27(32)26-25(33-17-28-26)15-20-11-13-22(14-12-20)23-9-6-10-24(16-23)30-19(2)31/h3-14,16-18H,15H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyHLDSMJBDGJWNMP-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.38
Rot. Bonds7

About 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 24901439) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID24901439
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC(C)c3ccccc3)cc2)c1
InChIInChI=1S/C27H25N3O3/c1-18(21-7-4-3-5-8-21)29-27(32)26-25(33-17-28-26)15-20-11-13-22(14-12-20)23-9-6-10-24(16-23)30-19(2)31/h3-14,16-18H,15H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyHLDSMJBDGJWNMP-UHFFFAOYSA-N
XLogP5.38
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide (CID 24901439) is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC(C)c3ccccc3)cc2)c1.
What is the InChIKey of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HLDSMJBDGJWNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-18(21-7-4-3-5-8-21)29-27(32)26-25(33-17-28-26)15-20-11-13-22(14-12-20)23-9-6-10-24(16-23)30-19(2)31/h3-14,16-18H,15H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24901439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).