3-methyl-5-pyridin-3-yl-1,2-oxazole

C9H8N2O — CID 11116338

IUPAC3-methyl-5-pyridin-3-yl-1,2-oxazole
SMILESCc1cc(-c2cccnc2)on1
InChIInChI=1S/C9H8N2O/c1-7-5-9(12-11-7)8-3-2-4-10-6-8/h2-6H,1H3
InChIKeyRNJOAVAFFYZWSD-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.05
Rot. Bonds1

About 3-methyl-5-pyridin-3-yl-1,2-oxazole

3-methyl-5-pyridin-3-yl-1,2-oxazole (PubChem CID 11116338) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-methyl-5-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-pyridin-3-yl-1,2-oxazole
PubChem CID11116338
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-methyl-5-pyridin-3-yl-1,2-oxazole
SMILESCc1cc(-c2cccnc2)on1
InChIInChI=1S/C9H8N2O/c1-7-5-9(12-11-7)8-3-2-4-10-6-8/h2-6H,1H3
InChIKeyRNJOAVAFFYZWSD-UHFFFAOYSA-N
XLogP2.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 3-methyl-5-pyridin-3-yl-1,2-oxazole (CID 11116338) is 3-methyl-5-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 3-methyl-5-pyridin-3-yl-1,2-oxazole is Cc1cc(-c2cccnc2)on1.
What is the InChIKey of 3-methyl-5-pyridin-3-yl-1,2-oxazole?
The InChIKey is RNJOAVAFFYZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7-5-9(12-11-7)8-3-2-4-10-6-8/h2-6H,1H3.
What are the key properties of 3-methyl-5-pyridin-3-yl-1,2-oxazole?
3-methyl-5-pyridin-3-yl-1,2-oxazole has a molecular weight of 160.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 11116338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).