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

C11H10F3NO2 — CID 22184767

IUPAC[5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESOCC1=NOC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)9-4-2-1-3-8(9)10-5-7(6-16)15-17-10/h1-4,10,16H,5-6H2
InChIKeyUSBIFLPWYSGAAZ-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.52
Rot. Bonds2

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

[5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol (PubChem CID 22184767) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is [5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
PubChem CID22184767
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name[5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESOCC1=NOC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)9-4-2-1-3-8(9)10-5-7(6-16)15-17-10/h1-4,10,16H,5-6H2
InChIKeyUSBIFLPWYSGAAZ-UHFFFAOYSA-N
XLogP2.52
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol (CID 22184767) is [5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol is OCC1=NOC(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of [5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The InChIKey is USBIFLPWYSGAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)9-4-2-1-3-8(9)10-5-7(6-16)15-17-10/h1-4,10,16H,5-6H2.
What are the key properties of [5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol?
[5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol has a molecular weight of 245.20 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 22184767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).