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

C24H37N5OS2 — CID 160663902

IUPAC4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1
InChIInChI=1S/C6H10N2.C6H9NO.2C6H9NS/c1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyRMAPWUOOLQPAND-UHFFFAOYSA-N
MW475.73 g/mol
LogP7.80
Rot. Bonds4

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

4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (PubChem CID 160663902) has the molecular formula C24H37N5OS2 and a molecular weight of 475.73 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
PubChem CID160663902
Molecular FormulaC24H37N5OS2
Molecular Weight475.73 g/mol
Exact Mass475.24
IUPAC Name4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1
InChIInChI=1S/C6H10N2.C6H9NO.2C6H9NS/c1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyRMAPWUOOLQPAND-UHFFFAOYSA-N
XLogP7.80
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.73
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-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

Bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole
CID 157058322
Ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 159794624
Ethane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 160977134
Methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 161607932
Bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,4-dimethyl-1,3-thiazole)
CID 161659640

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (CID 160663902) is 4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1.
What is the InChIKey of 4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
The InChIKey is RMAPWUOOLQPAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C6H9NO.2C6H9NS/c1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h3-6H,1-2H3;3*3-5H,1-2H3.
What are the key properties of 4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole has a molecular weight of 475.73 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160663902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).