3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one

C24H20N2O3 — CID 16736226

IUPAC3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-13-18-9-11-19(12-10-18)17-28-20-6-2-1-3-7-20/h1-12,15-16H,13-14,17H2
InChIKeyONDWZFFDWRKXKE-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.13
Rot. Bonds8

About 3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one

3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 16736226) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
PubChem CID16736226
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-13-18-9-11-19(12-10-18)17-28-20-6-2-1-3-7-20/h1-12,15-16H,13-14,17H2
InChIKeyONDWZFFDWRKXKE-UHFFFAOYSA-N
XLogP5.13
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one (CID 16736226) is 3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one is O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is ONDWZFFDWRKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-13-18-9-11-19(12-10-18)17-28-20-6-2-1-3-7-20/h1-12,15-16H,13-14,17H2.
What are the key properties of 3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one has a molecular weight of 384.44 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(phenoxymethyl)phenyl]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 16736226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).