4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole

C14H14F3NO3 — CID 71996857

IUPAC4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole
SMILESCc1nc(COc2ccc(OCC(F)(F)F)cc2)oc1C
InChIInChI=1S/C14H14F3NO3/c1-9-10(2)21-13(18-9)7-19-11-3-5-12(6-4-11)20-8-14(15,16)17/h3-6H,7-8H2,1-2H3
InChIKeyJBXZYRJNSGSGJE-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.81
Rot. Bonds5

About 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole

4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole (PubChem CID 71996857) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole
PubChem CID71996857
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole
SMILESCc1nc(COc2ccc(OCC(F)(F)F)cc2)oc1C
InChIInChI=1S/C14H14F3NO3/c1-9-10(2)21-13(18-9)7-19-11-3-5-12(6-4-11)20-8-14(15,16)17/h3-6H,7-8H2,1-2H3
InChIKeyJBXZYRJNSGSGJE-UHFFFAOYSA-N
XLogP3.81
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Dimethylamino)-2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 2949569
5-(Dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 2951449
2-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methoxy]phenoxy]propanamide
CID 71996890
2-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methoxy]phenoxy]acetamide
CID 72005213
(4,5-Dimethyl-1,3-oxazol-2-yl)methyl 2-[2-(trifluoromethyl)phenoxy]propanoate
CID 71879861
2-[(2,6-Difluorophenoxy)methyl]-5-methyl-1,3-oxazole
CID 126782582
2-(2,3-Dihydro-1,4-benzodioxin-5-yloxymethyl)-4,5-dimethyl-1,3-oxazole
CID 132305830
2-[(4-Fluorophenoxy)methyl]-5-methyl-1,3-oxazole
CID 52146940
1-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 53584494
2-[[4-[2-(2-Fluorophenoxy)ethyl]piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 53610656
2-[[4-[2-(3-Fluorophenoxy)ethyl]piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 53612031
2-[[4-[2-(4-Fluorophenoxy)ethyl]piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 53613238

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole (CID 71996857) is 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole is Cc1nc(COc2ccc(OCC(F)(F)F)cc2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole?
The InChIKey is JBXZYRJNSGSGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-9-10(2)21-13(18-9)7-19-11-3-5-12(6-4-11)20-8-14(15,16)17/h3-6H,7-8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole?
4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole has a molecular weight of 301.26 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 71996857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).