3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole

C10H16N4O2 — CID 162019047

IUPAC3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1noc(C(C)C)n1.Cc1noc(C)n1
InChIInChI=1S/C6H10N2O.C4H6N2O/c1-4(2)6-7-5(3)8-9-6;1-3-5-4(2)7-6-3/h4H,1-3H3;1-2H3
InChIKeyYUMVANUWCGPPPW-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.19
Rot. Bonds1

About 3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole

3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 162019047) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID162019047
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1noc(C(C)C)n1.Cc1noc(C)n1
InChIInChI=1S/C6H10N2O.C4H6N2O/c1-4(2)6-7-5(3)8-9-6;1-3-5-4(2)7-6-3/h4H,1-3H3;1-2H3
InChIKeyYUMVANUWCGPPPW-UHFFFAOYSA-N
XLogP2.19
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole (CID 162019047) is 3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole is Cc1noc(C(C)C)n1.Cc1noc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is YUMVANUWCGPPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C4H6N2O/c1-4(2)6-7-5(3)8-9-6;1-3-5-4(2)7-6-3/h4H,1-3H3;1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole?
3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 224.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 162019047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).