5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide

C26H23N3O3 — CID 122189926

IUPAC5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C26H23N3O3/c1-17-8-13-22(15-24(17)29-26(31)23-16-27-32-18(23)2)28-25(30)14-19-9-11-21(12-10-19)20-6-4-3-5-7-20/h3-13,15-16H,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeySCNQPDZRLPTKRJ-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.39
Rot. Bonds6

About 5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122189926) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID122189926
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C26H23N3O3/c1-17-8-13-22(15-24(17)29-26(31)23-16-27-32-18(23)2)28-25(30)14-19-9-11-21(12-10-19)20-6-4-3-5-7-20/h3-13,15-16H,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeySCNQPDZRLPTKRJ-UHFFFAOYSA-N
XLogP5.39
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide (CID 122189926) is 5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1NC(=O)c1cnoc1C.
What is the InChIKey of 5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is SCNQPDZRLPTKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-17-8-13-22(15-24(17)29-26(31)23-16-27-32-18(23)2)28-25(30)14-19-9-11-21(12-10-19)20-6-4-3-5-7-20/h3-13,15-16H,14H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).