4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

C19H16F3NO3 — CID 1402231

IUPAC4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
SMILESCCc1cc(-c2onc(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC
InChIInChI=1S/C19H16F3NO3/c1-3-11-9-13(14(24)10-15(11)25-2)17-16(12-7-5-4-6-8-12)18(23-26-17)19(20,21)22/h4-10,24H,3H2,1-2H3
InChIKeyDAKKNGVKCSCVQU-UHFFFAOYSA-N
MW363.34 g/mol
LogP5.30
Rot. Bonds4

About 4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol (PubChem CID 1402231) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
PubChem CID1402231
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
SMILESCCc1cc(-c2onc(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC
InChIInChI=1S/C19H16F3NO3/c1-3-11-9-13(14(24)10-15(11)25-2)17-16(12-7-5-4-6-8-12)18(23-26-17)19(20,21)22/h4-10,24H,3H2,1-2H3
InChIKeyDAKKNGVKCSCVQU-UHFFFAOYSA-N
XLogP5.30
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.34
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol (CID 1402231) is 4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol is CCc1cc(-c2onc(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC.
What is the InChIKey of 4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is DAKKNGVKCSCVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-3-11-9-13(14(24)10-15(11)25-2)17-16(12-7-5-4-6-8-12)18(23-26-17)19(20,21)22/h4-10,24H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 363.34 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 1402231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).