3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan

C23H33F3N2O3 — CID 157490743

IUPAC3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan
SMILESCc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(C(C)C)on1.Cc1oncc1C(C)C
InChIInChI=1S/C9H11F3O.2C7H11NO/c1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)7-4-8-9-6(7)3;1-5(2)7-4-6(3)8-9-7/h4-5H,1-3H3;2*4-5H,1-3H3
InChIKeyBXFYARRYPNGMCF-UHFFFAOYSA-N
MW442.52 g/mol
LogP7.94
Rot. Bonds3

About 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan

3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan (PubChem CID 157490743) has the molecular formula C23H33F3N2O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan
PubChem CID157490743
Molecular FormulaC23H33F3N2O3
Molecular Weight442.52 g/mol
Exact Mass442.24
IUPAC Name3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan
SMILESCc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(C(C)C)on1.Cc1oncc1C(C)C
InChIInChI=1S/C9H11F3O.2C7H11NO/c1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)7-4-8-9-6(7)3;1-5(2)7-4-6(3)8-9-7/h4-5H,1-3H3;2*4-5H,1-3H3
InChIKeyBXFYARRYPNGMCF-UHFFFAOYSA-N
XLogP7.94
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan with MolForge

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Related Compounds

5-Ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran
CID 91201109
2-Methyl-3-propan-2-ylfuran;3-methyl-4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine
CID 157805893
2-Tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole
CID 158262824
3-Tert-butylfuran;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole
CID 158785018
Methane;2-methyl-3-propan-2-ylfuran;3-methyl-4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine
CID 160340918
2-Propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
CID 160601389
2-Propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-1-one
CID 165001159
Ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
CID 167588089

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan?
The IUPAC name of 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan (CID 157490743) is 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan?
The canonical SMILES for 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan is Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(C(C)C)on1.Cc1oncc1C(C)C.
What is the InChIKey of 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan?
The InChIKey is BXFYARRYPNGMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O.2C7H11NO/c1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)7-4-8-9-6(7)3;1-5(2)7-4-6(3)8-9-7/h4-5H,1-3H3;2*4-5H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan?
3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan has a molecular weight of 442.52 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan is sourced from PubChem (CID 157490743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).