ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole

C10H13N3O — CID 168929695

IUPACethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESCC.Cc1ccnc(-c2nnco2)c1
InChIInChI=1S/C8H7N3O.C2H6/c1-6-2-3-9-7(4-6)8-11-10-5-12-8;1-2/h2-5H,1H3;1-2H3
InChIKeyJNDFUIDEJGCCOC-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.47
Rot. Bonds1

About ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole

ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole (PubChem CID 168929695) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole
PubChem CID168929695
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Nameethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESCC.Cc1ccnc(-c2nnco2)c1
InChIInChI=1S/C8H7N3O.C2H6/c1-6-2-3-9-7(4-6)8-11-10-5-12-8;1-2/h2-5H,1H3;1-2H3
InChIKeyJNDFUIDEJGCCOC-UHFFFAOYSA-N
XLogP2.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
(9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
CID 44389973
6-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11652690
8-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)octan-1-one
CID 11695972
9-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)nonan-1-one
CID 11696246
3-(Biphenyl-4-yl)-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)-propan-1-one
CID 44577784
1,3,4-Oxadiazole, 2-amino-5-(2-pyridyl)-
CID 21939
2-[5-(4-Fluoro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 3161726
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 731741
2,5-Bis(2-pyridyl)-1,3,4-oxadiazole
CID 98904
4-(1,3,4-Oxadiazol-2-yl)pyridine
CID 775636
2-(1,3,4-Oxadiazol-2-yl)pyridine
CID 268847

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole (CID 168929695) is ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole is CC.Cc1ccnc(-c2nnco2)c1.
What is the InChIKey of ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is JNDFUIDEJGCCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O.C2H6/c1-6-2-3-9-7(4-6)8-11-10-5-12-8;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole?
ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 191.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 168929695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).