ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole

C10H20N2O — CID 143926320

IUPACethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole
SMILESCC.CCC(C)(C)c1nnc(C)o1
InChIInChI=1S/C8H14N2O.C2H6/c1-5-8(3,4)7-10-9-6(2)11-7;1-2/h5H2,1-4H3;1-2H3
InChIKeyJZBBXXFPKRRPTJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.09
Rot. Bonds2

About ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole

ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole (PubChem CID 143926320) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole
PubChem CID143926320
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Nameethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole
SMILESCC.CCC(C)(C)c1nnc(C)o1
InChIInChI=1S/C8H14N2O.C2H6/c1-5-8(3,4)7-10-9-6(2)11-7;1-2/h5H2,1-4H3;1-2H3
InChIKeyJZBBXXFPKRRPTJ-UHFFFAOYSA-N
XLogP3.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole (CID 143926320) is ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole is CC.CCC(C)(C)c1nnc(C)o1.
What is the InChIKey of ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole?
The InChIKey is JZBBXXFPKRRPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C2H6/c1-5-8(3,4)7-10-9-6(2)11-7;1-2/h5H2,1-4H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole?
ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole has a molecular weight of 184.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 143926320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).