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

C12H10F3NO2 — CID 21300962

IUPAC[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)oc1CO
InChIInChI=1S/C12H10F3NO2/c1-7-10(6-17)18-11(16-7)8-3-2-4-9(5-8)12(13,14)15/h2-5,17H,6H2,1H3
InChIKeyOEUNVZJABQYSLA-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.16
Rot. Bonds2

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

[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol (PubChem CID 21300962) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is [4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
PubChem CID21300962
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)oc1CO
InChIInChI=1S/C12H10F3NO2/c1-7-10(6-17)18-11(16-7)8-3-2-4-9(5-8)12(13,14)15/h2-5,17H,6H2,1H3
InChIKeyOEUNVZJABQYSLA-UHFFFAOYSA-N
XLogP3.16
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 21334537
5-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 115059776
4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 170147212
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine
CID 138805638
methyl 5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 122477173
2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 56757456
5-methyl-4-[(3-methyl-1,2,4-triazol-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750905
4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 142936042
(2R)-3-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]propane-1,2-diol
CID 95202912
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
5-(2-bromoethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 174698840

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol?
The IUPAC name of [4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol (CID 21300962) is [4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol is Cc1nc(-c2cccc(C(F)(F)F)c2)oc1CO.
What is the InChIKey of [4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol?
The InChIKey is OEUNVZJABQYSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-7-10(6-17)18-11(16-7)8-3-2-4-9(5-8)12(13,14)15/h2-5,17H,6H2,1H3.
What are the key properties of [4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol?
[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol has a molecular weight of 257.21 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 21300962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).