bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole

C111H192N18O5S6 — CID 158307035

IUPACbis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nnc(C(C)C)n1C.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)sc1C(C)C.Cc1nc(C(C)C)sc1C(C)C.Cc1oc(C(C)C)nc1C(C)C.Cc1sc(C(C)C)nc1C(C)C.Cc1sc(C(C)C)nc1C(C)C
InChIInChI=1S/3C10H17NO.4C10H17NS.C9H17N3.2C8H14N2O.2C8H14N2S/c1-6(2)9-8(5)12-10(11-9)7(3)4;2*1-6(2)9-8(5)11-10(12-9)7(3)4;2*1-6(2)9-8(5)12-10(11-9)7(3)4;2*1-6(2)9-8(5)11-10(12-9)7(3)4;1-6(2)8-10-11-9(7(3)4)12(8)5;4*1-5(2)7-9-8(6(3)4)11-10-7/h8*6-7H,1-5H3;4*5-6H,1-4H3
InChIKeyGNFAJERXJQAVDP-UHFFFAOYSA-N
MW2051.28 g/mol
LogP36.75
Rot. Bonds24

About bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole

bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole (PubChem CID 158307035) has the molecular formula C111H192N18O5S6 and a molecular weight of 2051.28 g/mol. Its IUPAC name is bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Namebis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
PubChem CID158307035
Molecular FormulaC111H192N18O5S6
Molecular Weight2051.28 g/mol
Exact Mass2049.36
IUPAC Namebis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nnc(C(C)C)n1C.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)sc1C(C)C.Cc1nc(C(C)C)sc1C(C)C.Cc1oc(C(C)C)nc1C(C)C.Cc1sc(C(C)C)nc1C(C)C.Cc1sc(C(C)C)nc1C(C)C
InChIInChI=1S/3C10H17NO.4C10H17NS.C9H17N3.2C8H14N2O.2C8H14N2S/c1-6(2)9-8(5)12-10(11-9)7(3)4;2*1-6(2)9-8(5)11-10(12-9)7(3)4;2*1-6(2)9-8(5)12-10(11-9)7(3)4;2*1-6(2)9-8(5)11-10(12-9)7(3)4;1-6(2)8-10-11-9(7(3)4)12(8)5;4*1-5(2)7-9-8(6(3)4)11-10-7/h8*6-7H,1-5H3;4*5-6H,1-4H3
InChIKeyGNFAJERXJQAVDP-UHFFFAOYSA-N
XLogP36.75
TPSA289.76 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002051.28
LogP ≤ 536.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole with MolForge

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Related Compounds

Bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
CID 157158452
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;1,4-dimethyl-5-propan-2-yl-4H-triazol-1-ium;4-methyl-5-propan-2-yloxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole
CID 158450197
Bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,5-ditert-butyl-1,3,4-thiadiazole
CID 158537027
4,5-Dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole
CID 158939891
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole
CID 159151122
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole
CID 159624882
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole
CID 160467922
Bis(2,5-ditert-butyl-4-methyl-1,3-oxazole);bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);bis(2,5-ditert-butyl-4-methyl-1,3-thiazole);2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole
CID 161134742
4,5-Dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4,4,5,5-tetramethyl-2-propan-2-yl-1,3-oxazole;4,4,5,5-tetramethyl-2-propan-2-yl-1,3-thiazole
CID 161535902
1,4-Dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;2,4,5-trimethyl-3-propan-2-yloxadiazole;3,4,5-trimethyl-2-propan-2-yloxadiazole;2,4,5-trimethyl-3-propan-2-ylthiadiazole;3,4,5-trimethyl-2-propan-2-ylthiadiazole
CID 161662255
methane;2,4,5-tritert-butyl-1-ethylimidazole;2,4,5-tritert-butyl-1-hydroxyimidazole;2,4,5-tritert-butyl-1-methylimidazole;2,4,5-tritert-butyl-1,3-oxazole;2,4,5-tritert-butyl-3H-pyrazol-2-ium;2,4,5-tritert-butyl-1,3-thiazole
CID 163900305
CID 167579745
CID 167579745

Frequently Asked Questions

What is the IUPAC name of bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The IUPAC name of bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole (CID 158307035) is bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole is CC(C)c1nnc(C(C)C)n1C.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)sc1C(C)C.Cc1nc(C(C)C)sc1C(C)C.Cc1oc(C(C)C)nc1C(C)C.Cc1sc(C(C)C)nc1C(C)C.Cc1sc(C(C)C)nc1C(C)C.
What is the InChIKey of bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The InChIKey is GNFAJERXJQAVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H17NO.4C10H17NS.C9H17N3.2C8H14N2O.2C8H14N2S/c1-6(2)9-8(5)12-10(11-9)7(3)4;2*1-6(2)9-8(5)11-10(12-9)7(3)4;2*1-6(2)9-8(5)12-10(11-9)7(3)4;2*1-6(2)9-8(5)11-10(12-9)7(3)4;1-6(2)8-10-11-9(7(3)4)12(8)5;4*1-5(2)7-9-8(6(3)4)11-10-7/h8*6-7H,1-5H3;4*5-6H,1-4H3.
What are the key properties of bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole has a molecular weight of 2051.28 g/mol, XLogP of 36.75, 24 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);5-methyl-2,4-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 158307035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).