5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole

C9H16N2O — CID 58059649

IUPAC5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CC(C)(C)C)n1
InChIInChI=1S/C9H16N2O/c1-5-7-10-8(12-11-7)6-9(2,3)4/h5-6H2,1-4H3
InChIKeyGZLDZHDAYUOPKP-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.22
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole

5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 58059649) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
PubChem CID58059649
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CC(C)(C)C)n1
InChIInChI=1S/C9H16N2O/c1-5-7-10-8(12-11-7)6-9(2,3)4/h5-6H2,1-4H3
InChIKeyGZLDZHDAYUOPKP-UHFFFAOYSA-N
XLogP2.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine
CID 64671837
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64671674
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115079148
5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole
CID 161311247
N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63891054
2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61354500
N-[(2R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-methylpropan-2-amine
CID 59777386
5-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carbaldehyde
CID 115079139
5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide
CID 22912833
5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole
CID 130668193
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63892002

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole (CID 58059649) is 5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole is CCc1noc(CC(C)(C)C)n1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is GZLDZHDAYUOPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-7-10-8(12-11-7)6-9(2,3)4/h5-6H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole?
5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 168.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 58059649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).