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

C11H14N2O2 — CID 145106828

IUPACethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one
SMILESCC.Cc1cncc(-c2cc(=O)[nH]o2)c1
InChIInChI=1S/C9H8N2O2.C2H6/c1-6-2-7(5-10-4-6)8-3-9(12)11-13-8;1-2/h2-5H,1H3,(H,11,12);1-2H3
InChIKeySZHISWQCGPFPPE-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.36
Rot. Bonds1

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

ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one (PubChem CID 145106828) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Nameethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one
PubChem CID145106828
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one
SMILESCC.Cc1cncc(-c2cc(=O)[nH]o2)c1
InChIInChI=1S/C9H8N2O2.C2H6/c1-6-2-7(5-10-4-6)8-3-9(12)11-13-8;1-2/h2-5H,1H3,(H,11,12);1-2H3
InChIKeySZHISWQCGPFPPE-UHFFFAOYSA-N
XLogP2.36
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one?
The IUPAC name of ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one (CID 145106828) is ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one.
What is the SMILES notation for ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one?
The canonical SMILES for ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one is CC.Cc1cncc(-c2cc(=O)[nH]o2)c1.
What is the InChIKey of ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one?
The InChIKey is SZHISWQCGPFPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.C2H6/c1-6-2-7(5-10-4-6)8-3-9(12)11-13-8;1-2/h2-5H,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one?
ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one has a molecular weight of 206.24 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one is sourced from PubChem (CID 145106828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).