4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole

C33H53N11O2S2 — CID 159627703

IUPAC4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole
SMILESCC(C)c1cn[nH]n1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1nncs1.CC(C)n1cnnc1
InChIInChI=1S/2C6H9NO.C6H9NS.2C5H9N3.C5H8N2S/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-7-4-8-6;1-5(2)8-3-6-7-4-8;1-4(2)5-3-6-8-7-5;1-4(2)5-7-6-3-8-5/h4*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3-4H,1-2H3
InChIKeyMOSFXZSSAHYIII-UHFFFAOYSA-N
MW700.00 g/mol
LogP9.31
Rot. Bonds6

About 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole

4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole (PubChem CID 159627703) has the molecular formula C33H53N11O2S2 and a molecular weight of 700.00 g/mol. Its IUPAC name is 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole.

Molecular Properties

Compound Name4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole
PubChem CID159627703
Molecular FormulaC33H53N11O2S2
Molecular Weight700.00 g/mol
Exact Mass699.38
IUPAC Name4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole
SMILESCC(C)c1cn[nH]n1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1nncs1.CC(C)n1cnnc1
InChIInChI=1S/2C6H9NO.C6H9NS.2C5H9N3.C5H8N2S/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-7-4-8-6;1-5(2)8-3-6-7-4-8;1-4(2)5-3-6-8-7-5;1-4(2)5-7-6-3-8-5/h4*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3-4H,1-2H3
InChIKeyMOSFXZSSAHYIII-UHFFFAOYSA-N
XLogP9.31
TPSA163.01 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.00
LogP ≤ 59.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole 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

5-Tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
CID 157697225
5-Tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
CID 158122959
5-Tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane)
CID 160519351

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole?
The IUPAC name of 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole (CID 159627703) is 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole.
What is the SMILES notation for 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole?
The canonical SMILES for 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole is CC(C)c1cn[nH]n1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1nncs1.CC(C)n1cnnc1.
What is the InChIKey of 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole?
The InChIKey is MOSFXZSSAHYIII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9NO.C6H9NS.2C5H9N3.C5H8N2S/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-7-4-8-6;1-5(2)8-3-6-7-4-8;1-4(2)5-3-6-8-7-5;1-4(2)5-7-6-3-8-5/h4*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3-4H,1-2H3.
What are the key properties of 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole?
4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole has a molecular weight of 700.00 g/mol, XLogP of 9.31, 6 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 159627703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).