4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one

C8H14N2O2 — CID 59804106

IUPAC4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1CC(C)(C)C
InChIInChI=1S/C8H14N2O2/c1-6-9-12-7(11)10(6)5-8(2,3)4/h5H2,1-4H3
InChIKeyHKOGZBXJUHBYPS-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.19
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one

4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one (PubChem CID 59804106) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one
PubChem CID59804106
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1CC(C)(C)C
InChIInChI=1S/C8H14N2O2/c1-6-9-12-7(11)10(6)5-8(2,3)4/h5H2,1-4H3
InChIKeyHKOGZBXJUHBYPS-UHFFFAOYSA-N
XLogP1.19
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one (CID 59804106) is 4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one is Cc1noc(=O)n1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one?
The InChIKey is HKOGZBXJUHBYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-9-12-7(11)10(6)5-8(2,3)4/h5H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one?
4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one has a molecular weight of 170.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 59804106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).