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

C11H10F3NO3 — CID 2881249

IUPAC3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCOc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C11H10F3NO3/c1-17-8-4-2-7(3-5-8)9-6-10(16,18-15-9)11(12,13)14/h2-5,16H,6H2,1H3
InChIKeyCTZBKVRKFPPKTE-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.07
Rot. Bonds2

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

3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 2881249) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID2881249
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCOc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C11H10F3NO3/c1-17-8-4-2-7(3-5-8)9-6-10(16,18-15-9)11(12,13)14/h2-5,16H,6H2,1H3
InChIKeyCTZBKVRKFPPKTE-UHFFFAOYSA-N
XLogP2.07
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 2881249) is 3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is COc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is CTZBKVRKFPPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-17-8-4-2-7(3-5-8)9-6-10(16,18-15-9)11(12,13)14/h2-5,16H,6H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 261.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 2881249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).