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

C6H10N2O2 — CID 21058186

IUPAC3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1C(C)C
InChIInChI=1S/C6H10N2O2/c1-4(2)8-5(3)7-10-6(8)9/h4H,1-3H3
InChIKeyMAFBGCHMQVGVSG-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.73
Rot. Bonds1

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

3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 21058186) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one
PubChem CID21058186
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1C(C)C
InChIInChI=1S/C6H10N2O2/c1-4(2)8-5(3)7-10-6(8)9/h4H,1-3H3
InChIKeyMAFBGCHMQVGVSG-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one (CID 21058186) is 3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one is Cc1noc(=O)n1C(C)C.
What is the InChIKey of 3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is MAFBGCHMQVGVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(2)8-5(3)7-10-6(8)9/h4H,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one?
3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 142.16 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 21058186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).