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

C23H18N2O2 — CID 24799489

IUPAC3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2ccncc2)o1
InChIInChI=1S/C23H18N2O2/c26-21(23-25-16-22(27-23)20-12-14-24-15-13-20)11-8-17-6-9-19(10-7-17)18-4-2-1-3-5-18/h1-7,9-10,12-16H,8,11H2
InChIKeyMRTNSOBARULEON-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.22
Rot. Bonds6

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

3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 24799489) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one
PubChem CID24799489
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2ccncc2)o1
InChIInChI=1S/C23H18N2O2/c26-21(23-25-16-22(27-23)20-12-14-24-15-13-20)11-8-17-6-9-19(10-7-17)18-4-2-1-3-5-18/h1-7,9-10,12-16H,8,11H2
InChIKeyMRTNSOBARULEON-UHFFFAOYSA-N
XLogP5.22
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one (CID 24799489) is 3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one is O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2ccncc2)o1.
What is the InChIKey of 3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is MRTNSOBARULEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-21(23-25-16-22(27-23)20-12-14-24-15-13-20)11-8-17-6-9-19(10-7-17)18-4-2-1-3-5-18/h1-7,9-10,12-16H,8,11H2.
What are the key properties of 3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one?
3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one has a molecular weight of 354.41 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 24799489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).