6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide

C20H19N3O3 — CID 16735838

IUPAC6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide
SMILESO=C(CCCCC(=O)c1ncc(-c2ccccn2)o1)Nc1ccccc1
InChIInChI=1S/C20H19N3O3/c24-17(20-22-14-18(26-20)16-10-6-7-13-21-16)11-4-5-12-19(25)23-15-8-2-1-3-9-15/h1-3,6-10,13-14H,4-5,11-12H2,(H,23,25)
InChIKeyIJANKEVONHQJMK-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.12
Rot. Bonds8

About 6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide

6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide (PubChem CID 16735838) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide.

Molecular Properties

Compound Name6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide
PubChem CID16735838
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide
SMILESO=C(CCCCC(=O)c1ncc(-c2ccccn2)o1)Nc1ccccc1
InChIInChI=1S/C20H19N3O3/c24-17(20-22-14-18(26-20)16-10-6-7-13-21-16)11-4-5-12-19(25)23-15-8-2-1-3-9-15/h1-3,6-10,13-14H,4-5,11-12H2,(H,23,25)
InChIKeyIJANKEVONHQJMK-UHFFFAOYSA-N
XLogP4.12
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide?
The IUPAC name of 6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide (CID 16735838) is 6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide.
What is the SMILES notation for 6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide?
The canonical SMILES for 6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide is O=C(CCCCC(=O)c1ncc(-c2ccccn2)o1)Nc1ccccc1.
What is the InChIKey of 6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide?
The InChIKey is IJANKEVONHQJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-17(20-22-14-18(26-20)16-10-6-7-13-21-16)11-4-5-12-19(25)23-15-8-2-1-3-9-15/h1-3,6-10,13-14H,4-5,11-12H2,(H,23,25).
What are the key properties of 6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide?
6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide has a molecular weight of 349.39 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-phenyl-6-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexanamide is sourced from PubChem (CID 16735838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).