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

C24H20N2O3 — CID 16735160

IUPAC3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1cccc(OCc2ccccc2)c1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-11-4-5-14-25-21)13-12-18-9-6-10-20(15-18)28-17-19-7-2-1-3-8-19/h1-11,14-16H,12-13,17H2
InChIKeyZHGXBAAKQLFDKE-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.13
Rot. Bonds8

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

3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 16735160) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
PubChem CID16735160
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1cccc(OCc2ccccc2)c1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-11-4-5-14-25-21)13-12-18-9-6-10-20(15-18)28-17-19-7-2-1-3-8-19/h1-11,14-16H,12-13,17H2
InChIKeyZHGXBAAKQLFDKE-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

Analyze 3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one (CID 16735160) is 3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one is O=C(CCc1cccc(OCc2ccccc2)c1)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is ZHGXBAAKQLFDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-11-4-5-14-25-21)13-12-18-9-6-10-20(15-18)28-17-19-7-2-1-3-8-19/h1-11,14-16H,12-13,17H2.
What are the key properties of 3-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
3-(3-phenylmethoxyphenyl)-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-(3-phenylmethoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 16735160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).