5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one

C9H8N2O2 — CID 10583405

IUPAC5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one
SMILESCc1cccc(-c2cc(=O)[nH]o2)n1
InChIInChI=1S/C9H8N2O2/c1-6-3-2-4-7(10-6)8-5-9(12)11-13-8/h2-5H,1H3,(H,11,12)
InChIKeyQRHAUHISEXNKQQ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.34
Rot. Bonds1

About 5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one

5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one (PubChem CID 10583405) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one
PubChem CID10583405
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one
SMILESCc1cccc(-c2cc(=O)[nH]o2)n1
InChIInChI=1S/C9H8N2O2/c1-6-3-2-4-7(10-6)8-5-9(12)11-13-8/h2-5H,1H3,(H,11,12)
InChIKeyQRHAUHISEXNKQQ-UHFFFAOYSA-N
XLogP1.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one (CID 10583405) is 5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one is Cc1cccc(-c2cc(=O)[nH]o2)n1.
What is the InChIKey of 5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one?
The InChIKey is QRHAUHISEXNKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-3-2-4-7(10-6)8-5-9(12)11-13-8/h2-5H,1H3,(H,11,12).
What are the key properties of 5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one?
5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one has a molecular weight of 176.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one is sourced from PubChem (CID 10583405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).