2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone

C20H20N2O3 — CID 16738146

IUPAC2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone
SMILESO=C(COCCCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C20H20N2O3/c23-18(15-24-13-7-5-10-16-8-2-1-3-9-16)20-22-14-19(25-20)17-11-4-6-12-21-17/h1-4,6,8-9,11-12,14H,5,7,10,13,15H2
InChIKeyHHCOCKSGAZJTSF-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.96
Rot. Bonds9

About 2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone

2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone (PubChem CID 16738146) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone
PubChem CID16738146
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone
SMILESO=C(COCCCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C20H20N2O3/c23-18(15-24-13-7-5-10-16-8-2-1-3-9-16)20-22-14-19(25-20)17-11-4-6-12-21-17/h1-4,6,8-9,11-12,14H,5,7,10,13,15H2
InChIKeyHHCOCKSGAZJTSF-UHFFFAOYSA-N
XLogP3.96
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.96
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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Related Compounds

OL-135
CID 10427006
7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
7-(2,3-Dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735549
Methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
CID 16736221
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-chlorophenyl)heptane
CID 16736447
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
6-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 16110715
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone (CID 16738146) is 2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone is O=C(COCCCCc1ccccc1)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone?
The InChIKey is HHCOCKSGAZJTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18(15-24-13-7-5-10-16-8-2-1-3-9-16)20-22-14-19(25-20)17-11-4-6-12-21-17/h1-4,6,8-9,11-12,14H,5,7,10,13,15H2.
What are the key properties of 2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone?
2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone has a molecular weight of 336.39 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 16738146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).