5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole

C31H48N6O3S — CID 159042622

IUPAC5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole
SMILESCC(C)(C)C.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.c1cocn1
InChIInChI=1S/C10H12N2S.C7H11NO.C6H10N2O.C5H12.C3H3NO/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-5(2,3)4;1-2-5-3-4-1/h4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;1-4H3;1-3H
InChIKeyJWGJOCVISSPMBF-UHFFFAOYSA-N
MW584.83 g/mol
LogP9.06
Rot. Bonds

About 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole

5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole (PubChem CID 159042622) has the molecular formula C31H48N6O3S and a molecular weight of 584.83 g/mol. Its IUPAC name is 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole
PubChem CID159042622
Molecular FormulaC31H48N6O3S
Molecular Weight584.83 g/mol
Exact Mass584.35
IUPAC Name5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole
SMILESCC(C)(C)C.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.c1cocn1
InChIInChI=1S/C10H12N2S.C7H11NO.C6H10N2O.C5H12.C3H3NO/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-5(2,3)4;1-2-5-3-4-1/h4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;1-4H3;1-3H
InChIKeyJWGJOCVISSPMBF-UHFFFAOYSA-N
XLogP9.06
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.83
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole with MolForge

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Related Compounds

N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3-oxazole-2-carboxamide
CID 130354601
2-Tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole
CID 158390712
2-Propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole
CID 161227750
2-Tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole
CID 161532160
5-Propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 75463903
N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 167847829

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole?
The IUPAC name of 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole (CID 159042622) is 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole?
The canonical SMILES for 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole is CC(C)(C)C.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.c1cocn1.
What is the InChIKey of 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole?
The InChIKey is JWGJOCVISSPMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.C7H11NO.C6H10N2O.C5H12.C3H3NO/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-5(2,3)4;1-2-5-3-4-1/h4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;1-4H3;1-3H.
What are the key properties of 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole?
5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole has a molecular weight of 584.83 g/mol, XLogP of 9.06, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole is sourced from PubChem (CID 159042622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).