2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole

C79H141N17O4S4 — CID 167707061

IUPAC2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole
SMILESC.C1=CN=CC1.C1=NC=NC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nnns1.c1cocn1.c1cscn1
InChIInChI=1S/C8H13N.C7H11NO.C7H11NS.2C6H10N2O.C6H10N2S.C5H9N3S.4C5H12.C4H5N.C3H4N2.C3H3NO.C3H3NS.CH4/c1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-8-7-4-9-5;2*1-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-7-8-9-4;4*1-5(2,3)4;1-2-4-5-3-1;3*1-2-5-3-4-1;/h4-5H,6H2,1-3H3;2*4-5H,1-3H3;3*4H,1-3H3;1-3H3;4*1-4H3;1,3-4H,2H2;1,3H,2H2;2*1-3H;1H4
InChIKeyZGEDTMCBFRKIMI-UHFFFAOYSA-N
MW1521.38 g/mol
LogP23.99
Rot. Bonds

About 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole

2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole (PubChem CID 167707061) has the molecular formula C79H141N17O4S4 and a molecular weight of 1521.38 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole
PubChem CID167707061
Molecular FormulaC79H141N17O4S4
Molecular Weight1521.38 g/mol
Exact Mass1520.02
IUPAC Name2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole
SMILESC.C1=CN=CC1.C1=NC=NC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nnns1.c1cocn1.c1cscn1
InChIInChI=1S/C8H13N.C7H11NO.C7H11NS.2C6H10N2O.C6H10N2S.C5H9N3S.4C5H12.C4H5N.C3H4N2.C3H3NO.C3H3NS.CH4/c1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-8-7-4-9-5;2*1-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-7-8-9-4;4*1-5(2,3)4;1-2-4-5-3-1;3*1-2-5-3-4-1;/h4-5H,6H2,1-3H3;2*4-5H,1-3H3;3*4H,1-3H3;1-3H3;4*1-4H3;1,3-4H,2H2;1,3H,2H2;2*1-3H;1H4
InChIKeyZGEDTMCBFRKIMI-UHFFFAOYSA-N
XLogP23.99
TPSA269.57 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.38
LogP ≤ 523.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;5-ethyl-3-propan-2-yl-1,2,4-oxadiazole;2-ethyl-4-propan-2-yl-1,3-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-ethyl-2-propan-2-yl-1,3-oxazole;5-ethyl-3-propan-2-yl-1,2-oxazole;2-ethyl-5-propan-2-yltetrazole;5-ethyl-2-propan-2-yltetrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;3-ethyl-5-propan-2-yl-1,2,4-thiadiazole;5-ethyl-3-propan-2-yl-1,2,4-thiadiazole;2-ethyl-4-propan-2-yl-1,3-thiazole;2-ethyl-5-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-3-propan-2-yl-1,2-thiazole
CID 157375347
2-Methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole
CID 158397876
tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole
CID 158502637
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
3,5-Dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole
CID 162112564
3,5-Diethyl-1,2,4-thiadiazole;2-ethyl-5-methanidyl-1,3,4-oxadiazole;3-ethyl-5-methanidyl-1,2,4-oxadiazole;3-ethyl-5-methanidyl-1,2-oxazole;4-ethyl-2-methanidyl-1,3-oxazole;4-ethyl-3-methanidyl-1,2-oxazole;4-ethyl-5-methanidyl-1,2-oxazole;4-ethyl-5-methanidyl-1,3-oxazole;5-ethyl-2-methanidyl-1,3-oxazole;2-ethyl-5-methanidyl-1,3,4-thiadiazole;2-ethyl-5-methanidyl-1,3-thiazole;3-ethyl-5-methanidyl-1,2-thiazole;4-ethyl-2-methanidyl-1,3-thiazole;4-ethyl-3-methanidyl-1,2-thiazole;4-ethyl-5-methanidyl-1,2-thiazole;4-ethyl-5-methanidyl-1,3-thiazole;pentadecakis(yttrium)
CID 163465991
3-Tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
CID 163722407
3-Tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
CID 163897003
3-Tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;nonakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole
CID 164012650
3-Tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
CID 164964807
3-Tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
CID 164985824
3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-5H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,3-oxazole;1,3-thiazole
CID 167640269

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole?
The IUPAC name of 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole (CID 167707061) is 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole?
The canonical SMILES for 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole is C.C1=CN=CC1.C1=NC=NC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nnns1.c1cocn1.c1cscn1.
What is the InChIKey of 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole?
The InChIKey is ZGEDTMCBFRKIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C7H11NO.C7H11NS.2C6H10N2O.C6H10N2S.C5H9N3S.4C5H12.C4H5N.C3H4N2.C3H3NO.C3H3NS.CH4/c1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-8-7-4-9-5;2*1-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-7-8-9-4;4*1-5(2,3)4;1-2-4-5-3-1;3*1-2-5-3-4-1;/h4-5H,6H2,1-3H3;2*4-5H,1-3H3;3*4H,1-3H3;1-3H3;4*1-4H3;1,3-4H,2H2;1,3H,2H2;2*1-3H;1H4.
What are the key properties of 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole?
2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole has a molecular weight of 1521.38 g/mol, XLogP of 23.99, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;tetrakis(2,2-dimethylpropane);4H-imidazole;methane;1,3-oxazole;3H-pyrrole;1,3-thiazole is sourced from PubChem (CID 167707061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).