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

C24H20N2O2 — CID 16735162

IUPAC3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C24H20N2O2/c27-22(24-26-17-23(28-24)21-8-4-5-15-25-21)14-13-18-9-11-20(12-10-18)16-19-6-2-1-3-7-19/h1-12,15,17H,13-14,16H2
InChIKeyVAYUMGOSGZBSMF-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.14
Rot. Bonds7

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

3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 16735162) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
PubChem CID16735162
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C24H20N2O2/c27-22(24-26-17-23(28-24)21-8-4-5-15-25-21)14-13-18-9-11-20(12-10-18)16-19-6-2-1-3-7-19/h1-12,15,17H,13-14,16H2
InChIKeyVAYUMGOSGZBSMF-UHFFFAOYSA-N
XLogP5.14
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one (CID 16735162) is 3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one is O=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is VAYUMGOSGZBSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-22(24-26-17-23(28-24)21-8-4-5-15-25-21)14-13-18-9-11-20(12-10-18)16-19-6-2-1-3-7-19/h1-12,15,17H,13-14,16H2.
What are the key properties of 3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one?
3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one has a molecular weight of 368.44 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 16735162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).