3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C11H8ClF4NO3 — CID 50900739

IUPAC3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCOc1cc(C2=NOC(O)(C(F)(F)F)C2)c(F)cc1Cl
InChIInChI=1S/C11H8ClF4NO3/c1-19-9-2-5(7(13)3-6(9)12)8-4-10(18,20-17-8)11(14,15)16/h2-3,18H,4H2,1H3
InChIKeyOECVVWWTFSMMOQ-UHFFFAOYSA-N
MW313.63 g/mol
LogP2.86
Rot. Bonds2

About 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 50900739) has the molecular formula C11H8ClF4NO3 and a molecular weight of 313.63 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID50900739
Molecular FormulaC11H8ClF4NO3
Molecular Weight313.63 g/mol
Exact Mass313.01
IUPAC Name3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCOc1cc(C2=NOC(O)(C(F)(F)F)C2)c(F)cc1Cl
InChIInChI=1S/C11H8ClF4NO3/c1-19-9-2-5(7(13)3-6(9)12)8-4-10(18,20-17-8)11(14,15)16/h2-3,18H,4H2,1H3
InChIKeyOECVVWWTFSMMOQ-UHFFFAOYSA-N
XLogP2.86
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.63
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 50900739) is 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is COc1cc(C2=NOC(O)(C(F)(F)F)C2)c(F)cc1Cl.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is OECVVWWTFSMMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4NO3/c1-19-9-2-5(7(13)3-6(9)12)8-4-10(18,20-17-8)11(14,15)16/h2-3,18H,4H2,1H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 313.63 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 50900739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).