2-(2H-pyridin-1-yl)-1,3-oxazole

C8H8N2O — CID 172844657

IUPAC2-(2H-pyridin-1-yl)-1,3-oxazole
SMILESC1=CCN(c2ncco2)C=C1
InChIInChI=1S/C8H8N2O/c1-2-5-10(6-3-1)8-9-4-7-11-8/h1-5,7H,6H2
InChIKeyXGHWVMQLDAIYKI-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.56
Rot. Bonds1

About 2-(2H-pyridin-1-yl)-1,3-oxazole

2-(2H-pyridin-1-yl)-1,3-oxazole (PubChem CID 172844657) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(2H-pyridin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2H-pyridin-1-yl)-1,3-oxazole
PubChem CID172844657
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-(2H-pyridin-1-yl)-1,3-oxazole
SMILESC1=CCN(c2ncco2)C=C1
InChIInChI=1S/C8H8N2O/c1-2-5-10(6-3-1)8-9-4-7-11-8/h1-5,7H,6H2
InChIKeyXGHWVMQLDAIYKI-UHFFFAOYSA-N
XLogP1.56
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyridin-1-yl)-1,3-oxazole?
The IUPAC name of 2-(2H-pyridin-1-yl)-1,3-oxazole (CID 172844657) is 2-(2H-pyridin-1-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2H-pyridin-1-yl)-1,3-oxazole?
The canonical SMILES for 2-(2H-pyridin-1-yl)-1,3-oxazole is C1=CCN(c2ncco2)C=C1.
What is the InChIKey of 2-(2H-pyridin-1-yl)-1,3-oxazole?
The InChIKey is XGHWVMQLDAIYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-5-10(6-3-1)8-9-4-7-11-8/h1-5,7H,6H2.
What are the key properties of 2-(2H-pyridin-1-yl)-1,3-oxazole?
2-(2H-pyridin-1-yl)-1,3-oxazole has a molecular weight of 148.16 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyridin-1-yl)-1,3-oxazole is sourced from PubChem (CID 172844657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).