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

C91H158N16O3S6 — CID 157158452

IUPACbis(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
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)sc1C(C)C.Cc1nc(C(C)C)sc1C(C)C.Cc1sc(C(C)C)nc1C(C)C.Cc1sc(C(C)C)nc1C(C)C
InChIInChI=1S/C10H17NO.4C10H17NS.C9H17N3.2C8H14N2O.2C8H14N2S/c1-6(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/h6*6-7H,1-5H3;4*5-6H,1-4H3
InChIKeyAMBXNVWYHACTGV-UHFFFAOYSA-N
MW1716.78 g/mol
LogP30.29
Rot. Bonds20

About 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

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 (PubChem CID 157158452) has the molecular formula C91H158N16O3S6 and a molecular weight of 1716.78 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);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.

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);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
PubChem CID157158452
Molecular FormulaC91H158N16O3S6
Molecular Weight1716.78 g/mol
Exact Mass1715.10
IUPAC Namebis(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
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)sc1C(C)C.Cc1nc(C(C)C)sc1C(C)C.Cc1sc(C(C)C)nc1C(C)C.Cc1sc(C(C)C)nc1C(C)C
InChIInChI=1S/C10H17NO.4C10H17NS.C9H17N3.2C8H14N2O.2C8H14N2S/c1-6(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/h6*6-7H,1-5H3;4*5-6H,1-4H3
InChIKeyAMBXNVWYHACTGV-UHFFFAOYSA-N
XLogP30.29
TPSA237.70 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001716.78
LogP ≤ 530.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole
CID 158389756
3,5-di(propan-2-yl)-1,2,4-thiadiazole
CID 167579429
3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
CID 162275599
5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 72903499
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)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
CID 159031549
ethane;furan;tris(2-methylpropane);5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1H-pyrrole;thiophene
CID 162158797
ethane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole
CID 162145621
1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine
CID 115013442
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-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;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine;4,5,6-trimethyl-2-propan-2-ylpyrimidine;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
CID 158183942
methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 158726243
3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane
CID 177328062
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086

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);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?
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);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) is 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.
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);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?
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);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 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)sc1C(C)C.Cc1nc(C(C)C)sc1C(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);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?
The InChIKey is AMBXNVWYHACTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.4C10H17NS.C9H17N3.2C8H14N2O.2C8H14N2S/c1-6(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/h6*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);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?
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 has a molecular weight of 1716.78 g/mol, XLogP of 30.29, 20 rotatable bonds, 0 hydrogen bond donors, and 25 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);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 is sourced from PubChem (CID 157158452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).