[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol

C9H12F3NO2 — CID 91084799

IUPAC[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol
SMILESCC(C)Cc1onc(CO)c1C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-5(2)3-7-8(9(10,11)12)6(4-14)13-15-7/h5,14H,3-4H2,1-2H3
InChIKeyCXTMPNZKACXIEX-UHFFFAOYSA-N
MW223.19 g/mol
LogP2.38
Rot. Bonds3

About [5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol

[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol (PubChem CID 91084799) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is [5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol
PubChem CID91084799
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol
SMILESCC(C)Cc1onc(CO)c1C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-5(2)3-7-8(9(10,11)12)6(4-14)13-15-7/h5,14H,3-4H2,1-2H3
InChIKeyCXTMPNZKACXIEX-UHFFFAOYSA-N
XLogP2.38
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol (CID 91084799) is [5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol is CC(C)Cc1onc(CO)c1C(F)(F)F.
What is the InChIKey of [5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is CXTMPNZKACXIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-5(2)3-7-8(9(10,11)12)6(4-14)13-15-7/h5,14H,3-4H2,1-2H3.
What are the key properties of [5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol?
[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 223.19 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 91084799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).