2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide

C17H20N2O3 — CID 11991810

IUPAC2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(C(=O)CCCCCCc2ccccc2)o1
InChIInChI=1S/C17H20N2O3/c18-16(21)15-12-19-17(22-15)14(20)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2,(H2,18,21)
InChIKeyIYTXGVNGLIICHG-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.15
Rot. Bonds9

About 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide

2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide (PubChem CID 11991810) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide
PubChem CID11991810
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(C(=O)CCCCCCc2ccccc2)o1
InChIInChI=1S/C17H20N2O3/c18-16(21)15-12-19-17(22-15)14(20)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2,(H2,18,21)
InChIKeyIYTXGVNGLIICHG-UHFFFAOYSA-N
XLogP3.15
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.15
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 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide (CID 11991810) is 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide is NC(=O)c1cnc(C(=O)CCCCCCc2ccccc2)o1.
What is the InChIKey of 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide?
The InChIKey is IYTXGVNGLIICHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c18-16(21)15-12-19-17(22-15)14(20)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2,(H2,18,21).
What are the key properties of 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide?
2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 11991810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).