3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one

C23H19N3O2 — CID 16736227

IUPAC3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C23H19N3O2/c27-21(23-25-16-22(28-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)26-18-6-2-1-3-7-18/h1-10,12-13,15-16,26H,11,14H2
InChIKeyIVBGIXDVHGYNIG-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.30
Rot. Bonds7

About 3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one

3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 16736227) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
PubChem CID16736227
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C23H19N3O2/c27-21(23-25-16-22(28-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)26-18-6-2-1-3-7-18/h1-10,12-13,15-16,26H,11,14H2
InChIKeyIVBGIXDVHGYNIG-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one (CID 16736227) is 3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one is O=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is IVBGIXDVHGYNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-21(23-25-16-22(28-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)26-18-6-2-1-3-7-18/h1-10,12-13,15-16,26H,11,14H2.
What are the key properties of 3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one has a molecular weight of 369.42 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-anilinophenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 16736227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).