8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide

C23H24N2O3 — CID 10429614

IUPAC8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide
SMILESO=C(CCCCCCC(=O)c1ncco1)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H24N2O3/c26-21(23-24-15-16-28-23)13-6-1-2-7-14-22(27)25-20-12-8-11-19(17-20)18-9-4-3-5-10-18/h3-5,8-12,15-17H,1-2,6-7,13-14H2,(H,25,27)
InChIKeyICFCPTJGLMKNHK-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.50
Rot. Bonds10

About 8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide

8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide (PubChem CID 10429614) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide.

Molecular Properties

Compound Name8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide
PubChem CID10429614
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide
SMILESO=C(CCCCCCC(=O)c1ncco1)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H24N2O3/c26-21(23-24-15-16-28-23)13-6-1-2-7-14-22(27)25-20-12-8-11-19(17-20)18-9-4-3-5-10-18/h3-5,8-12,15-17H,1-2,6-7,13-14H2,(H,25,27)
InChIKeyICFCPTJGLMKNHK-UHFFFAOYSA-N
XLogP5.50
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide?
The IUPAC name of 8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide (CID 10429614) is 8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide.
What is the SMILES notation for 8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide?
The canonical SMILES for 8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide is O=C(CCCCCCC(=O)c1ncco1)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide?
The InChIKey is ICFCPTJGLMKNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-21(23-24-15-16-28-23)13-6-1-2-7-14-22(27)25-20-12-8-11-19(17-20)18-9-4-3-5-10-18/h3-5,8-12,15-17H,1-2,6-7,13-14H2,(H,25,27).
What are the key properties of 8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide?
8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide has a molecular weight of 376.46 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-oxazol-2-yl)-8-oxo-N-(3-phenylphenyl)octanamide is sourced from PubChem (CID 10429614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).