5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole

C9H12F3NO2 — CID 146379105

IUPAC5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole
SMILESCOc1nc(C(F)(F)F)c(C(C)(C)C)o1
InChIInChI=1S/C9H12F3NO2/c1-8(2,3)6-5(9(10,11)12)13-7(14-4)15-6/h1-4H3
InChIKeyQGDGGCQUPSMOGL-UHFFFAOYSA-N
MW223.19 g/mol
LogP3.00
Rot. Bonds1

About 5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole

5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 146379105) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole
PubChem CID146379105
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole
SMILESCOc1nc(C(F)(F)F)c(C(C)(C)C)o1
InChIInChI=1S/C9H12F3NO2/c1-8(2,3)6-5(9(10,11)12)13-7(14-4)15-6/h1-4H3
InChIKeyQGDGGCQUPSMOGL-UHFFFAOYSA-N
XLogP3.00
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Tert-butyl-2-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 57709386
2,5-Di(propan-2-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 58428484
2-Methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 68235773
5-Tert-butyl-2,4-bis(trifluoromethyl)-1,3-oxazole
CID 146377728
5-Tert-butyl-2-fluoro-4-(trifluoromethyl)-1,3-oxazole
CID 146377747
4-Tert-butyl-2-fluoro-5-methyl-1,3-oxazole
CID 146378346
5-Tert-butyl-2-fluoro-4-methyl-1,3-oxazole
CID 146378574
5-Tert-butyl-2-chloro-4-(trifluoromethyl)-1,3-oxazole
CID 146379119
5-Tert-butyl-2-iodo-4-(trifluoromethyl)-1,3-oxazole
CID 146379121
5-Tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 146379139
2-Bromo-5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 147168338
5-Tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole
CID 149452174

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole (CID 146379105) is 5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole is COc1nc(C(F)(F)F)c(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is QGDGGCQUPSMOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-8(2,3)6-5(9(10,11)12)13-7(14-4)15-6/h1-4H3.
What are the key properties of 5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole?
5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 223.19 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 146379105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).