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

C21H19F6NO2 — CID 87059819

IUPAC[2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol
SMILESCCCc1cc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1CO
InChIInChI=1S/C21H19F6NO2/c1-2-4-13-9-14(7-8-15(13)12-29)18-11-19(30-28-18,21(25,26)27)16-5-3-6-17(10-16)20(22,23)24/h3,5-10,29H,2,4,11-12H2,1H3
InChIKeyPRWRUZWWYODNEL-UHFFFAOYSA-N
MW431.38 g/mol
LogP5.73
Rot. Bonds5

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

[2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol (PubChem CID 87059819) has the molecular formula C21H19F6NO2 and a molecular weight of 431.38 g/mol. Its IUPAC name is [2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol
PubChem CID87059819
Molecular FormulaC21H19F6NO2
Molecular Weight431.38 g/mol
Exact Mass431.13
IUPAC Name[2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol
SMILESCCCc1cc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1CO
InChIInChI=1S/C21H19F6NO2/c1-2-4-13-9-14(7-8-15(13)12-29)18-11-19(30-28-18,21(25,26)27)16-5-3-6-17(10-16)20(22,23)24/h3,5-10,29H,2,4,11-12H2,1H3
InChIKeyPRWRUZWWYODNEL-UHFFFAOYSA-N
XLogP5.73
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.38
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol?
The IUPAC name of [2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol (CID 87059819) is [2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol.
What is the SMILES notation for [2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol?
The canonical SMILES for [2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol is CCCc1cc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1CO.
What is the InChIKey of [2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol?
The InChIKey is PRWRUZWWYODNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6NO2/c1-2-4-13-9-14(7-8-15(13)12-29)18-11-19(30-28-18,21(25,26)27)16-5-3-6-17(10-16)20(22,23)24/h3,5-10,29H,2,4,11-12H2,1H3.
What are the key properties of [2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol?
[2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol has a molecular weight of 431.38 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol is sourced from PubChem (CID 87059819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).