3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one

C20H20N2O3 — CID 16736013

IUPAC3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCOCCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C20H20N2O3/c23-18(11-14-24-13-6-9-16-7-2-1-3-8-16)20-22-15-19(25-20)17-10-4-5-12-21-17/h1-5,7-8,10,12,15H,6,9,11,13-14H2
InChIKeyNHRHBUMFOMJBTE-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.96
Rot. Bonds9

About 3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one

3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 16736013) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
PubChem CID16736013
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCOCCCc1ccccc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C20H20N2O3/c23-18(11-14-24-13-6-9-16-7-2-1-3-8-16)20-22-15-19(25-20)17-10-4-5-12-21-17/h1-5,7-8,10,12,15H,6,9,11,13-14H2
InChIKeyNHRHBUMFOMJBTE-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one (CID 16736013) is 3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one is O=C(CCOCCCc1ccccc1)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is NHRHBUMFOMJBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18(11-14-24-13-6-9-16-7-2-1-3-8-16)20-22-15-19(25-20)17-10-4-5-12-21-17/h1-5,7-8,10,12,15H,6,9,11,13-14H2.
What are the key properties of 3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one 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 3-(3-phenylpropoxy)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 16736013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).