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

C7H12N2O2 — CID 131157728

IUPAC4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
SMILESCC(C)Cc1noc(=O)n1C
InChIInChI=1S/C7H12N2O2/c1-5(2)4-6-8-11-7(10)9(6)3/h5H,4H2,1-3H3
InChIKeyOVGGEPYNQWROKE-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.57
Rot. Bonds2

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

4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one (PubChem CID 131157728) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
PubChem CID131157728
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
SMILESCC(C)Cc1noc(=O)n1C
InChIInChI=1S/C7H12N2O2/c1-5(2)4-6-8-11-7(10)9(6)3/h5H,4H2,1-3H3
InChIKeyOVGGEPYNQWROKE-UHFFFAOYSA-N
XLogP0.57
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one (CID 131157728) is 4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one is CC(C)Cc1noc(=O)n1C.
What is the InChIKey of 4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one?
The InChIKey is OVGGEPYNQWROKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(2)4-6-8-11-7(10)9(6)3/h5H,4H2,1-3H3.
What are the key properties of 4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one?
4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one has a molecular weight of 156.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 131157728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).