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

C36H56N8O2S2 — CID 158101927

IUPAC3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)C1=NCC=C1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nncs1
InChIInChI=1S/C7H11N.C6H10N2.2C6H9NO.C6H9NS.C5H8N2S/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;3-4H,1-2H3
InChIKeyFPJFBXYOMGYMCJ-UHFFFAOYSA-N
MW697.03 g/mol
LogP10.71
Rot. Bonds6

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

3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (PubChem CID 158101927) has the molecular formula C36H56N8O2S2 and a molecular weight of 697.03 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
PubChem CID158101927
Molecular FormulaC36H56N8O2S2
Molecular Weight697.03 g/mol
Exact Mass696.40
IUPAC Name3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)C1=NCC=C1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nncs1
InChIInChI=1S/C7H11N.C6H10N2.2C6H9NO.C6H9NS.C5H8N2S/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;3-4H,1-2H3
InChIKeyFPJFBXYOMGYMCJ-UHFFFAOYSA-N
XLogP10.71
TPSA131.77 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500697.03
LogP ≤ 510.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157365856
ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
CID 157494019
3-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 157847250
bis(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158477238
methane;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158621478
1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
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4-Tert-butyl-1-(1-fluoroethyl)pyrazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 160018774
3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 160039207
ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(5-propan-2-yl-1H-pyrazole);4-propan-2-yl-2H-pyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
CID 160113467
ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
CID 160398291
3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
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CID 160612260

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (CID 158101927) is 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is CC(C)C1=NCC=C1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nncs1.
What is the InChIKey of 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is FPJFBXYOMGYMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C6H10N2.2C6H9NO.C6H9NS.C5H8N2S/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 697.03 g/mol, XLogP of 10.71, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158101927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).