2-pyridin-3-yl-4,5-dihydro-1,3-oxazole

C8H8N2O — CID 794242

IUPAC2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
SMILESc1cncc(C2=NCCO2)c1
InChIInChI=1S/C8H8N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h1-3,6H,4-5H2
InChIKeyFVASBRDDSBRETH-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.86
Rot. Bonds1

About 2-pyridin-3-yl-4,5-dihydro-1,3-oxazole

2-pyridin-3-yl-4,5-dihydro-1,3-oxazole (PubChem CID 794242) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-pyridin-3-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
PubChem CID794242
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
SMILESc1cncc(C2=NCCO2)c1
InChIInChI=1S/C8H8N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h1-3,6H,4-5H2
InChIKeyFVASBRDDSBRETH-UHFFFAOYSA-N
XLogP0.86
TPSA34.48 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 ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-pyridin-3-yl-4,5-dihydro-1,3-oxazole (CID 794242) is 2-pyridin-3-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-pyridin-3-yl-4,5-dihydro-1,3-oxazole is c1cncc(C2=NCCO2)c1.
What is the InChIKey of 2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is FVASBRDDSBRETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h1-3,6H,4-5H2.
What are the key properties of 2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
2-pyridin-3-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 148.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 794242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).