2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane

C175H338N22O7S3 — CID 159827695

IUPAC2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1=CCC(C(C)C)=N1.CC(C)C1=NC(C(C)C)=NC1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/2C11H17N.C10H22N2.C10H17N.C10H16S.2C9H16N2.6C9H15NO.2C9H15NS.C8H15N3.C8H14N2O.17CH4/c2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7;;;;;;;;;;;;;;;;;/h2*5-9H,1-4H3;9-10H,5-8H2,1-4H3;5,7-8H,6H2,1-4H3;5-8H,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);9*5-7H,1-4H3;5-6H,1-4H3;17*1H4
InChIKeyNNBCCHDDIKWXIY-UHFFFAOYSA-N
MW2958.98 g/mol
LogP59.33
Rot. Bonds34

About 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane

2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane (PubChem CID 159827695) has the molecular formula C175H338N22O7S3 and a molecular weight of 2958.98 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane
PubChem CID159827695
Molecular FormulaC175H338N22O7S3
Molecular Weight2958.98 g/mol
Exact Mass2956.59
IUPAC Name2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1=CCC(C(C)C)=N1.CC(C)C1=NC(C(C)C)=NC1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/2C11H17N.C10H22N2.C10H17N.C10H16S.2C9H16N2.6C9H15NO.2C9H15NS.C8H15N3.C8H14N2O.17CH4/c2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7;;;;;;;;;;;;;;;;;/h2*5-9H,1-4H3;9-10H,5-8H2,1-4H3;5,7-8H,6H2,1-4H3;5-8H,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);9*5-7H,1-4H3;5-6H,1-4H3;17*1H4
InChIKeyNNBCCHDDIKWXIY-UHFFFAOYSA-N
XLogP59.33
TPSA349.61 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002958.98
LogP ≤ 559.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Analyze 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane?
The IUPAC name of 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane (CID 159827695) is 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane.
What is the SMILES notation for 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane?
The canonical SMILES for 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1=CCC(C(C)C)=N1.CC(C)C1=NC(C(C)C)=NC1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane?
The InChIKey is NNBCCHDDIKWXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17N.C10H22N2.C10H17N.C10H16S.2C9H16N2.6C9H15NO.2C9H15NS.C8H15N3.C8H14N2O.17CH4/c2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7;;;;;;;;;;;;;;;;;/h2*5-9H,1-4H3;9-10H,5-8H2,1-4H3;5,7-8H,6H2,1-4H3;5-8H,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);9*5-7H,1-4H3;5-6H,1-4H3;17*1H4.
What are the key properties of 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane?
2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane has a molecular weight of 2958.98 g/mol, XLogP of 59.33, 34 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-4H-imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,4-di(propan-2-yl)piperazine;3,5-di(propan-2-yl)-1H-pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;1,4-di(propan-2-yl)triazole;methane is sourced from PubChem (CID 159827695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).