1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane

C199H392N44O4S3 — CID 159563471

IUPAC1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)on1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/2C10H17N.3C9H16N2.2C9H15NO.2C9H15NS.6C8H15N3.2C8H14N2O.C8H14N2S.2C7H14N4.15C2H6/c2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-9-5-11(10-8)7(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8;2*1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-8-10-11(9-7)6(3)4;15*1-2/h2*5-9H,1-4H3;3*5-8H,1-4H3;9*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);5*5-6H,1-4H3;15*1-2H3
InChIKeyMGXKJQLQLWGBED-UHFFFAOYSA-N
MW3561.83 g/mol
LogP64.30
Rot. Bonds40

About 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane

1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane (PubChem CID 159563471) has the molecular formula C199H392N44O4S3 and a molecular weight of 3561.83 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
PubChem CID159563471
Molecular FormulaC199H392N44O4S3
Molecular Weight3561.83 g/mol
Exact Mass3559.10
IUPAC Name1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)on1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/2C10H17N.3C9H16N2.2C9H15NO.2C9H15NS.6C8H15N3.2C8H14N2O.C8H14N2S.2C7H14N4.15C2H6/c2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-9-5-11(10-8)7(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8;2*1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-8-10-11(9-7)6(3)4;15*1-2/h2*5-9H,1-4H3;3*5-8H,1-4H3;9*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);5*5-6H,1-4H3;15*1-2H3
InChIKeyMGXKJQLQLWGBED-UHFFFAOYSA-N
XLogP64.30
TPSA527.10 Ų
H-Bond Donors1
H-Bond Acceptors50
Rotatable Bonds40
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003561.83
LogP ≤ 564.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1050

Analyze 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane?
The IUPAC name of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane (CID 159563471) is 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane.
What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane?
The canonical SMILES for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)on1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane?
The InChIKey is MGXKJQLQLWGBED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17N.3C9H16N2.2C9H15NO.2C9H15NS.6C8H15N3.2C8H14N2O.C8H14N2S.2C7H14N4.15C2H6/c2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-9-5-11(10-8)7(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8;2*1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-8-10-11(9-7)6(3)4;15*1-2/h2*5-9H,1-4H3;3*5-8H,1-4H3;9*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);5*5-6H,1-4H3;15*1-2H3.
What are the key properties of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane?
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane has a molecular weight of 3561.83 g/mol, XLogP of 64.30, 40 rotatable bonds, 1 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole);3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane is sourced from PubChem (CID 159563471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).