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

C28H55N5O3 — CID 161228994

IUPAC2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
SMILESC.C.C.CC(C)c1cc(C(C)C)on1.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C9H15NO.2C8H14N2O.3CH4/c1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;;;/h5-7H,1-4H3;2*5-6H,1-4H3;3*1H4
InChIKeyUYMPTYITOQSQMG-UHFFFAOYSA-N
MW509.78 g/mol
LogP9.46
Rot. Bonds6

About 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-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)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane (PubChem CID 161228994) has the molecular formula C28H55N5O3 and a molecular weight of 509.78 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-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)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
PubChem CID161228994
Molecular FormulaC28H55N5O3
Molecular Weight509.78 g/mol
Exact Mass509.43
IUPAC Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
SMILESC.C.C.CC(C)c1cc(C(C)C)on1.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C9H15NO.2C8H14N2O.3CH4/c1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;;;/h5-7H,1-4H3;2*5-6H,1-4H3;3*1H4
InChIKeyUYMPTYITOQSQMG-UHFFFAOYSA-N
XLogP9.46
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.78
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-Propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole
CID 155020378
5-Propan-2-yl-3-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole
CID 155129230
2,5-Di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;4-methyl-3,5-di(propan-2-yl)-1,2-oxazole
CID 157281306
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole
CID 157437153
3,5-Di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole
CID 157548660
2-Methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-thiazole
CID 157606883
2,5-Di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole
CID 158819774
2,5-Di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;methane;4-methyl-3,5-di(propan-2-yl)-1,2-oxazole
CID 159041723
3,5-Ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyltetrazole;methane
CID 159387258
Methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one
CID 159659035
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane
CID 159759349
3,5-Ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole
CID 160586879

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)-1,2,4-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)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane (CID 161228994) is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-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)-1,2,4-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)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane is C.C.C.CC(C)c1cc(C(C)C)on1.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane?
The InChIKey is UYMPTYITOQSQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.2C8H14N2O.3CH4/c1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;;;/h5-7H,1-4H3;2*5-6H,1-4H3;3*1H4.
What are the key properties of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-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)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane has a molecular weight of 509.78 g/mol, XLogP of 9.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane is sourced from PubChem (CID 161228994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).