4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole

C20H31N3OS2 — CID 159876471

IUPAC4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nccs1.Cc1conc1C(C)C.Cc1csc(C(C)C)n1
InChIInChI=1S/C7H11NO.C7H11NS.C6H9NS/c1-5(2)7-6(3)4-9-8-7;1-5(2)7-8-6(3)4-9-7;1-5(2)6-7-3-4-8-6/h2*4-5H,1-3H3;3-5H,1-2H3
InChIKeyNSYVNPONEKUHMD-UHFFFAOYSA-N
MW393.62 g/mol
LogP6.95
Rot. Bonds3

About 4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole

4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole (PubChem CID 159876471) has the molecular formula C20H31N3OS2 and a molecular weight of 393.62 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
PubChem CID159876471
Molecular FormulaC20H31N3OS2
Molecular Weight393.62 g/mol
Exact Mass393.19
IUPAC Name4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nccs1.Cc1conc1C(C)C.Cc1csc(C(C)C)n1
InChIInChI=1S/C7H11NO.C7H11NS.C6H9NS/c1-5(2)7-6(3)4-9-8-7;1-5(2)7-8-6(3)4-9-7;1-5(2)6-7-3-4-8-6/h2*4-5H,1-3H3;3-5H,1-2H3
InChIKeyNSYVNPONEKUHMD-UHFFFAOYSA-N
XLogP6.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

Ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
CID 158441344
2-Ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 158633352
Ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
CID 160612260
Ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 160613838
5-Ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 161215550
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 161245738
3-Methyl-4-[1-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazole
CID 166929281
3-[1-(1,3-Thiazol-2-yl)ethyl]-1,2-oxazole
CID 174470496
3-Propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 177005552
Ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole
CID 177006502
3-Ethyl-4-[[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 137976388
N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 137976408

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole (CID 159876471) is 4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole is CC(C)c1nccs1.Cc1conc1C(C)C.Cc1csc(C(C)C)n1.
What is the InChIKey of 4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is NSYVNPONEKUHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C7H11NS.C6H9NS/c1-5(2)7-6(3)4-9-8-7;1-5(2)7-8-6(3)4-9-7;1-5(2)6-7-3-4-8-6/h2*4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole?
4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 393.62 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159876471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).