2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole

C28H48N4OS — CID 160716691

IUPAC2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole
SMILESCC(C)c1cn(C)c(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/C10H18N2.C9H15NO.C9H15NS/c1-7(2)9-6-12(5)10(11-9)8(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4/h6-8H,1-5H3;2*5-7H,1-4H3
InChIKeyRSOFWVPTELHGRN-UHFFFAOYSA-N
MW488.79 g/mol
LogP8.98
Rot. Bonds6

About 2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole

2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole (PubChem CID 160716691) has the molecular formula C28H48N4OS and a molecular weight of 488.79 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole
PubChem CID160716691
Molecular FormulaC28H48N4OS
Molecular Weight488.79 g/mol
Exact Mass488.35
IUPAC Name2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole
SMILESCC(C)c1cn(C)c(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/C10H18N2.C9H15NO.C9H15NS/c1-7(2)9-6-12(5)10(11-9)8(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4/h6-8H,1-5H3;2*5-7H,1-4H3
InChIKeyRSOFWVPTELHGRN-UHFFFAOYSA-N
XLogP8.98
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.79
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole?
The IUPAC name of 2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole (CID 160716691) is 2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole.
What is the SMILES notation for 2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole?
The canonical SMILES for 2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole is CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.
What is the InChIKey of 2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole?
The InChIKey is RSOFWVPTELHGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H15NO.C9H15NS/c1-7(2)9-6-12(5)10(11-9)8(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4/h6-8H,1-5H3;2*5-7H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole?
2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole has a molecular weight of 488.79 g/mol, XLogP of 8.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-1,3-oxazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole is sourced from PubChem (CID 160716691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).