6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one

C21H23N3O2 — CID 16738151

IUPAC6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one
SMILESCN(CCCCCC(=O)c1ncc(-c2ccccn2)o1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-24(17-10-4-2-5-11-17)15-9-3-6-13-19(25)21-23-16-20(26-21)18-12-7-8-14-22-18/h2,4-5,7-8,10-12,14,16H,3,6,9,13,15H2,1H3
InChIKeyORABKRHKEYNKES-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.62
Rot. Bonds9

About 6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one

6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one (PubChem CID 16738151) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one.

Molecular Properties

Compound Name6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one
PubChem CID16738151
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one
SMILESCN(CCCCCC(=O)c1ncc(-c2ccccn2)o1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-24(17-10-4-2-5-11-17)15-9-3-6-13-19(25)21-23-16-20(26-21)18-12-7-8-14-22-18/h2,4-5,7-8,10-12,14,16H,3,6,9,13,15H2,1H3
InChIKeyORABKRHKEYNKES-UHFFFAOYSA-N
XLogP4.62
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
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-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one?
The IUPAC name of 6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one (CID 16738151) is 6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one.
What is the SMILES notation for 6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one?
The canonical SMILES for 6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one is CN(CCCCCC(=O)c1ncc(-c2ccccn2)o1)c1ccccc1.
What is the InChIKey of 6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one?
The InChIKey is ORABKRHKEYNKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24(17-10-4-2-5-11-17)15-9-3-6-13-19(25)21-23-16-20(26-21)18-12-7-8-14-22-18/h2,4-5,7-8,10-12,14,16H,3,6,9,13,15H2,1H3.
What are the key properties of 6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one?
6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one has a molecular weight of 349.43 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)hexan-1-one is sourced from PubChem (CID 16738151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).