5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide

C27H25N3O3 — CID 24901438

IUPAC5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccc3)cc2)c1
InChIInChI=1S/C27H25N3O3/c1-19(31)30-24-9-5-8-23(17-24)22-12-10-21(11-13-22)16-25-26(29-18-33-25)27(32)28-15-14-20-6-3-2-4-7-20/h2-13,17-18H,14-16H2,1H3,(H,28,32)(H,30,31)
InChIKeyKPPPOECZYRZUMH-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.86
Rot. Bonds8

About 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide

5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 24901438) 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-(2-phenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID24901438
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccc3)cc2)c1
InChIInChI=1S/C27H25N3O3/c1-19(31)30-24-9-5-8-23(17-24)22-12-10-21(11-13-22)16-25-26(29-18-33-25)27(32)28-15-14-20-6-3-2-4-7-20/h2-13,17-18H,14-16H2,1H3,(H,28,32)(H,30,31)
InChIKeyKPPPOECZYRZUMH-UHFFFAOYSA-N
XLogP4.86
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.86
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-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (CID 24901438) is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccc3)cc2)c1.
What is the InChIKey of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KPPPOECZYRZUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-19(31)30-24-9-5-8-23(17-24)22-12-10-21(11-13-22)16-25-26(29-18-33-25)27(32)28-15-14-20-6-3-2-4-7-20/h2-13,17-18H,14-16H2,1H3,(H,28,32)(H,30,31).
What are the key properties of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.86, 8 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-(2-phenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24901438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).