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

C10H8N2O2 — CID 22831981

IUPAC1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone
SMILESCC(=O)c1cc(-c2cccnc2)no1
InChIInChI=1S/C10H8N2O2/c1-7(13)10-5-9(12-14-10)8-3-2-4-11-6-8/h2-6H,1H3
InChIKeyKDWLANIMFVYTQF-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.94
Rot. Bonds2

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

1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone (PubChem CID 22831981) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone
PubChem CID22831981
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone
SMILESCC(=O)c1cc(-c2cccnc2)no1
InChIInChI=1S/C10H8N2O2/c1-7(13)10-5-9(12-14-10)8-3-2-4-11-6-8/h2-6H,1H3
InChIKeyKDWLANIMFVYTQF-UHFFFAOYSA-N
XLogP1.94
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone (CID 22831981) is 1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone is CC(=O)c1cc(-c2cccnc2)no1.
What is the InChIKey of 1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone?
The InChIKey is KDWLANIMFVYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7(13)10-5-9(12-14-10)8-3-2-4-11-6-8/h2-6H,1H3.
What are the key properties of 1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone?
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone has a molecular weight of 188.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 22831981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).