1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone

C16H12N2O2 — CID 44546286

IUPAC1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(-c3cccnc3)no2)c1
InChIInChI=1S/C16H12N2O2/c1-11(19)12-4-2-5-13(8-12)16-9-15(18-20-16)14-6-3-7-17-10-14/h2-10H,1H3
InChIKeyGXYHMOLSNLTUEP-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.61
Rot. Bonds3

About 1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone

1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone (PubChem CID 44546286) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone
PubChem CID44546286
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(-c3cccnc3)no2)c1
InChIInChI=1S/C16H12N2O2/c1-11(19)12-4-2-5-13(8-12)16-9-15(18-20-16)14-6-3-7-17-10-14/h2-10H,1H3
InChIKeyGXYHMOLSNLTUEP-UHFFFAOYSA-N
XLogP3.61
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone (CID 44546286) is 1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone is CC(=O)c1cccc(-c2cc(-c3cccnc3)no2)c1.
What is the InChIKey of 1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone?
The InChIKey is GXYHMOLSNLTUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-11(19)12-4-2-5-13(8-12)16-9-15(18-20-16)14-6-3-7-17-10-14/h2-10H,1H3.
What are the key properties of 1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone?
1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone has a molecular weight of 264.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 44546286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).