(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate

C16H16F3NO4 — CID 71879861

IUPAC(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate
SMILESCc1nc(COC(=O)C(C)Oc2ccccc2C(F)(F)F)oc1C
InChIInChI=1S/C16H16F3NO4/c1-9-10(2)24-14(20-9)8-22-15(21)11(3)23-13-7-5-4-6-12(13)16(17,18)19/h4-7,11H,8H2,1-3H3
InChIKeyFAZWFCDWAFWXPS-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.82
Rot. Bonds5

About (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate

(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate (PubChem CID 71879861) has the molecular formula C16H16F3NO4 and a molecular weight of 343.30 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate
PubChem CID71879861
Molecular FormulaC16H16F3NO4
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC Name(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate
SMILESCc1nc(COC(=O)C(C)Oc2ccccc2C(F)(F)F)oc1C
InChIInChI=1S/C16H16F3NO4/c1-9-10(2)24-14(20-9)8-22-15(21)11(3)23-13-7-5-4-6-12(13)16(17,18)19/h4-7,11H,8H2,1-3H3
InChIKeyFAZWFCDWAFWXPS-UHFFFAOYSA-N
XLogP3.82
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate 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 (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate?
The IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate (CID 71879861) is (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate.
What is the SMILES notation for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate?
The canonical SMILES for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate is Cc1nc(COC(=O)C(C)Oc2ccccc2C(F)(F)F)oc1C.
What is the InChIKey of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate?
The InChIKey is FAZWFCDWAFWXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4/c1-9-10(2)24-14(20-9)8-22-15(21)11(3)23-13-7-5-4-6-12(13)16(17,18)19/h4-7,11H,8H2,1-3H3.
What are the key properties of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate?
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate has a molecular weight of 343.30 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate is sourced from PubChem (CID 71879861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).