2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane

C18H33N3O2 — CID 158635482

IUPAC2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
SMILESC.CC(C)c1cc(C(C)C)on1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C9H15NO.C8H14N2O.CH4/c1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;/h5-7H,1-4H3;5-6H,1-4H3;1H4
InChIKeyHZSICJBVLBCXMP-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.87
Rot. Bonds4

About 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane

2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane (PubChem CID 158635482) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
PubChem CID158635482
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
SMILESC.CC(C)c1cc(C(C)C)on1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C9H15NO.C8H14N2O.CH4/c1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;/h5-7H,1-4H3;5-6H,1-4H3;1H4
InChIKeyHZSICJBVLBCXMP-UHFFFAOYSA-N
XLogP5.87
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane?
The IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane (CID 158635482) is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane is C.CC(C)c1cc(C(C)C)on1.CC(C)c1nnc(C(C)C)o1.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane?
The InChIKey is HZSICJBVLBCXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C8H14N2O.CH4/c1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;/h5-7H,1-4H3;5-6H,1-4H3;1H4.
What are the key properties of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane?
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane has a molecular weight of 323.48 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane is sourced from PubChem (CID 158635482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).