5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole

C82H141N13O4S5 — CID 158562606

IUPAC5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole
SMILESCC(C)c1cc(C(C)(C)C)ns1.CC(C)c1cc(C(C)C)on1.CC(C)c1cnc(C(C)(C)C)s1.CC(C)c1nc(C(C)(C)C)ns1.CC(C)c1ncc(C(C)(C)C)o1.CC(C)c1ncc(C(C)(C)C)s1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C10H17NO.3C10H17NS.C9H16N2S.C9H15NO.2C8H14N2O.C8H14N2S/c2*1-7(2)9-11-6-8(12-9)10(3,4)5;1-7(2)8-6-11-9(12-8)10(3,4)5;1-7(2)8-6-9(11-12-8)10(3,4)5;1-6(2)7-10-8(11-12-7)9(3,4)5;1-6(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;1-5(2)7-9-10-8(11-7)6(3)4/h4*6-7H,1-5H3;6H,1-5H3;5-7H,1-4H3;3*5-6H,1-4H3
InChIKeyHRBLGEKMOPESAC-UHFFFAOYSA-N
MW1533.45 g/mol
LogP27.09
Rot. Bonds13

About 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole

5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole (PubChem CID 158562606) has the molecular formula C82H141N13O4S5 and a molecular weight of 1533.45 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole
PubChem CID158562606
Molecular FormulaC82H141N13O4S5
Molecular Weight1533.45 g/mol
Exact Mass1531.98
IUPAC Name5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole
SMILESCC(C)c1cc(C(C)(C)C)ns1.CC(C)c1cc(C(C)C)on1.CC(C)c1cnc(C(C)(C)C)s1.CC(C)c1nc(C(C)(C)C)ns1.CC(C)c1ncc(C(C)(C)C)o1.CC(C)c1ncc(C(C)(C)C)s1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C10H17NO.3C10H17NS.C9H16N2S.C9H15NO.2C8H14N2O.C8H14N2S/c2*1-7(2)9-11-6-8(12-9)10(3,4)5;1-7(2)8-6-11-9(12-8)10(3,4)5;1-7(2)8-6-9(11-12-8)10(3,4)5;1-6(2)7-10-8(11-12-7)9(3,4)5;1-6(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;1-5(2)7-9-10-8(11-7)6(3)4/h4*6-7H,1-5H3;6H,1-5H3;5-7H,1-4H3;3*5-6H,1-4H3
InChIKeyHRBLGEKMOPESAC-UHFFFAOYSA-N
XLogP27.09
TPSA220.13 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.45
LogP ≤ 527.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole with MolForge

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Launch Full Analysis

Related Compounds

2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 158635482
2-tert-butyl-5-propan-2-yl-1,3-thiazole
CID 59135224
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
1,4-di(propan-2-yl)imidazole;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;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
CID 161184723
5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole
CID 163668717
3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 160901645
1-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 83846933
1,4-ditert-butylbenzene;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butylpyrazine;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;2,5-ditert-butylthiophene
CID 158188944
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82190839
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
2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole
CID 116734658

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole (CID 158562606) is 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole is CC(C)c1cc(C(C)(C)C)ns1.CC(C)c1cc(C(C)C)on1.CC(C)c1cnc(C(C)(C)C)s1.CC(C)c1nc(C(C)(C)C)ns1.CC(C)c1ncc(C(C)(C)C)o1.CC(C)c1ncc(C(C)(C)C)s1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole?
The InChIKey is HRBLGEKMOPESAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.3C10H17NS.C9H16N2S.C9H15NO.2C8H14N2O.C8H14N2S/c2*1-7(2)9-11-6-8(12-9)10(3,4)5;1-7(2)8-6-11-9(12-8)10(3,4)5;1-7(2)8-6-9(11-12-8)10(3,4)5;1-6(2)7-10-8(11-12-7)9(3,4)5;1-6(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;1-5(2)7-9-10-8(11-7)6(3)4/h4*6-7H,1-5H3;6H,1-5H3;5-7H,1-4H3;3*5-6H,1-4H3.
What are the key properties of 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole?
5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole has a molecular weight of 1533.45 g/mol, XLogP of 27.09, 13 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;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;2,5-di(propan-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 158562606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).