4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol

C12H12F3NO3 — CID 177210029

IUPAC4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol
SMILESCC(O)C1N=C(c2cccc(C(F)(F)F)c2)OC1O
InChIInChI=1S/C12H12F3NO3/c1-6(17)9-11(18)19-10(16-9)7-3-2-4-8(5-7)12(13,14)15/h2-6,9,11,17-18H,1H3
InChIKeyYARMDQYFUNUWJX-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.55
Rot. Bonds2

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

4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol (PubChem CID 177210029) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol
PubChem CID177210029
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol
SMILESCC(O)C1N=C(c2cccc(C(F)(F)F)c2)OC1O
InChIInChI=1S/C12H12F3NO3/c1-6(17)9-11(18)19-10(16-9)7-3-2-4-8(5-7)12(13,14)15/h2-6,9,11,17-18H,1H3
InChIKeyYARMDQYFUNUWJX-UHFFFAOYSA-N
XLogP1.55
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol?
The IUPAC name of 4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol (CID 177210029) is 4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol.
What is the SMILES notation for 4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol?
The canonical SMILES for 4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol is CC(O)C1N=C(c2cccc(C(F)(F)F)c2)OC1O.
What is the InChIKey of 4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol?
The InChIKey is YARMDQYFUNUWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-6(17)9-11(18)19-10(16-9)7-3-2-4-8(5-7)12(13,14)15/h2-6,9,11,17-18H,1H3.
What are the key properties of 4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol?
4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol has a molecular weight of 275.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-ol is sourced from PubChem (CID 177210029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).