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

C9H16N2O2 — CID 170704680

IUPACethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole
SMILESCC.Cc1nc(C2(C)COC2)no1
InChIInChI=1S/C7H10N2O2.C2H6/c1-5-8-6(9-11-5)7(2)3-10-4-7;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyCCWGWFLEJSLQSK-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.69
Rot. Bonds1

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

ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole (PubChem CID 170704680) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Nameethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole
PubChem CID170704680
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole
SMILESCC.Cc1nc(C2(C)COC2)no1
InChIInChI=1S/C7H10N2O2.C2H6/c1-5-8-6(9-11-5)7(2)3-10-4-7;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyCCWGWFLEJSLQSK-UHFFFAOYSA-N
XLogP1.69
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-methylpropan-1-one
CID 124047418
3-Tert-butyl-5-methyl-1,2,4-oxadiazole
CID 13676612
3-(1,1-Difluoroethyl)-5-methyl-1,2,4-oxadiazole;ethane;5-methyl-3-(oxetan-3-yl)-1,2,4-oxadiazole
CID 169128034
Ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate
CID 10773832
5-(2-Methoxyethyl)-3-methyl-1,2,4-oxadiazole
CID 10844482
5-(Tert-butyl)-3-methyl-1,2,4-oxadiazole
CID 15613867
3,5-Ditert-butyl-1,2,4-oxadiazole
CID 20626703
5-Tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 20774334
5-Tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
CID 21063833
2-(5-Methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 53654097
2-(5-Methyl-1,2,4-oxadiazol-3-yl)ethyl acetate
CID 54002024
[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 56923500

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole (CID 170704680) is ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole is CC.Cc1nc(C2(C)COC2)no1.
What is the InChIKey of ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole?
The InChIKey is CCWGWFLEJSLQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C2H6/c1-5-8-6(9-11-5)7(2)3-10-4-7;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole?
ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole has a molecular weight of 184.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 170704680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).