5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole

C12H12F3NO3 — CID 68825542

IUPAC5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole
SMILESCCC1=CCN(Oc2ccc(OC(F)(F)F)cc2)O1
InChIInChI=1S/C12H12F3NO3/c1-2-9-7-8-16(18-9)19-11-5-3-10(4-6-11)17-12(13,14)15/h3-7H,2,8H2,1H3
InChIKeyDRBCVQQLORFCTQ-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.42
Rot. Bonds4

About 5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole

5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole (PubChem CID 68825542) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole
PubChem CID68825542
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole
SMILESCCC1=CCN(Oc2ccc(OC(F)(F)F)cc2)O1
InChIInChI=1S/C12H12F3NO3/c1-2-9-7-8-16(18-9)19-11-5-3-10(4-6-11)17-12(13,14)15/h3-7H,2,8H2,1H3
InChIKeyDRBCVQQLORFCTQ-UHFFFAOYSA-N
XLogP3.42
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole?
The IUPAC name of 5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole (CID 68825542) is 5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole.
What is the SMILES notation for 5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole?
The canonical SMILES for 5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole is CCC1=CCN(Oc2ccc(OC(F)(F)F)cc2)O1.
What is the InChIKey of 5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole?
The InChIKey is DRBCVQQLORFCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-2-9-7-8-16(18-9)19-11-5-3-10(4-6-11)17-12(13,14)15/h3-7H,2,8H2,1H3.
What are the key properties of 5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole?
5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole has a molecular weight of 275.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole is sourced from PubChem (CID 68825542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).