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

C26H24N4O3 — CID 24901447

IUPAC5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccncc3)cc2)c1
InChIInChI=1S/C26H24N4O3/c1-18(31)30-23-4-2-3-22(16-23)21-7-5-20(6-8-21)15-24-25(29-17-33-24)26(32)28-14-11-19-9-12-27-13-10-19/h2-10,12-13,16-17H,11,14-15H2,1H3,(H,28,32)(H,30,31)
InChIKeyKQZORFFPGQAIKO-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.26
Rot. Bonds8

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

5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 24901447) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID24901447
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccncc3)cc2)c1
InChIInChI=1S/C26H24N4O3/c1-18(31)30-23-4-2-3-22(16-23)21-7-5-20(6-8-21)15-24-25(29-17-33-24)26(32)28-14-11-19-9-12-27-13-10-19/h2-10,12-13,16-17H,11,14-15H2,1H3,(H,28,32)(H,30,31)
InChIKeyKQZORFFPGQAIKO-UHFFFAOYSA-N
XLogP4.26
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide (CID 24901447) is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccncc3)cc2)c1.
What is the InChIKey of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KQZORFFPGQAIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-18(31)30-23-4-2-3-22(16-23)21-7-5-20(6-8-21)15-24-25(29-17-33-24)26(32)28-14-11-19-9-12-27-13-10-19/h2-10,12-13,16-17H,11,14-15H2,1H3,(H,28,32)(H,30,31).
What are the key properties of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24901447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).