1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol

C18H13Cl3F3NO2 — CID 86631553

IUPAC1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol
SMILESCC(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C18H13Cl3F3NO2/c1-9(26)14-3-2-10(4-15(14)21)16-8-17(27-25-16,18(22,23)24)11-5-12(19)7-13(20)6-11/h2-7,9,26H,8H2,1H3
InChIKeyUDKKOXDQGJOPGU-UHFFFAOYSA-N
MW438.66 g/mol
LogP6.28
Rot. Bonds3

About 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol

1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol (PubChem CID 86631553) has the molecular formula C18H13Cl3F3NO2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol
PubChem CID86631553
Molecular FormulaC18H13Cl3F3NO2
Molecular Weight438.66 g/mol
Exact Mass437.00
IUPAC Name1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol
SMILESCC(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C18H13Cl3F3NO2/c1-9(26)14-3-2-10(4-15(14)21)16-8-17(27-25-16,18(22,23)24)11-5-12(19)7-13(20)6-11/h2-7,9,26H,8H2,1H3
InChIKeyUDKKOXDQGJOPGU-UHFFFAOYSA-N
XLogP6.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol 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 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol?
The IUPAC name of 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol (CID 86631553) is 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol.
What is the SMILES notation for 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol?
The canonical SMILES for 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol is CC(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol?
The InChIKey is UDKKOXDQGJOPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3F3NO2/c1-9(26)14-3-2-10(4-15(14)21)16-8-17(27-25-16,18(22,23)24)11-5-12(19)7-13(20)6-11/h2-7,9,26H,8H2,1H3.
What are the key properties of 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol?
1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol has a molecular weight of 438.66 g/mol, XLogP of 6.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]ethanol is sourced from PubChem (CID 86631553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).