1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol

C9H12F3NO2 — CID 146264800

IUPAC1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol
SMILESCC(C)(C)c1nc(C(O)C(F)(F)F)co1
InChIInChI=1S/C9H12F3NO2/c1-8(2,3)7-13-5(4-15-7)6(14)9(10,11)12/h4,6,14H,1-3H3
InChIKeyHOWHXXGPJIMIRG-UHFFFAOYSA-N
MW223.19 g/mol
LogP2.57
Rot. Bonds1

About 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol

1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol (PubChem CID 146264800) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol
PubChem CID146264800
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol
SMILESCC(C)(C)c1nc(C(O)C(F)(F)F)co1
InChIInChI=1S/C9H12F3NO2/c1-8(2,3)7-13-5(4-15-7)6(14)9(10,11)12/h4,6,14H,1-3H3
InChIKeyHOWHXXGPJIMIRG-UHFFFAOYSA-N
XLogP2.57
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Cyclopropyl-1,3-oxazol-4-yl)methanol
CID 53399651
(2-Tert-butyl-1,3-oxazol-4-yl)methanol
CID 112756401
(2-(1,1-Difluoroethyl)oxazol-4-yl)methanol
CID 67127967
2,2,2-Trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
CID 122677791
1,1,1-Trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol
CID 122677819
2,2,2-Trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethane-1,1-diol
CID 122677820
2-Tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 126550851
2,2-Difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
CID 131498318
1-(2-Tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol
CID 135295963
1-(2-Tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol
CID 135295980
2-(2-Tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol
CID 135295981
1-(2-Tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethane-1,1-diol
CID 135297374

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol (CID 146264800) is 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol is CC(C)(C)c1nc(C(O)C(F)(F)F)co1.
What is the InChIKey of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol?
The InChIKey is HOWHXXGPJIMIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-8(2,3)7-13-5(4-15-7)6(14)9(10,11)12/h4,6,14H,1-3H3.
What are the key properties of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol?
1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol has a molecular weight of 223.19 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 146264800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).