4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one

C6H10N2O2 — CID 70644219

IUPAC4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)c1noc(=O)n1C
InChIInChI=1S/C6H10N2O2/c1-4(2)5-7-10-6(9)8(5)3/h4H,1-3H3
InChIKeyZMIPFLUJBYFYRH-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.50
Rot. Bonds1

About 4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one

4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 70644219) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one
PubChem CID70644219
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)c1noc(=O)n1C
InChIInChI=1S/C6H10N2O2/c1-4(2)5-7-10-6(9)8(5)3/h4H,1-3H3
InChIKeyZMIPFLUJBYFYRH-UHFFFAOYSA-N
XLogP0.50
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one (CID 70644219) is 4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one is CC(C)c1noc(=O)n1C.
What is the InChIKey of 4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is ZMIPFLUJBYFYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(2)5-7-10-6(9)8(5)3/h4H,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one?
4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 142.16 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 70644219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).