methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate

C16H17F3N2O3 — CID 56750581

IUPACmethyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C
InChIInChI=1S/C16H17F3N2O3/c1-10-13(8-21(2)9-14(22)23-3)20-15(24-10)11-5-4-6-12(7-11)16(17,18)19/h4-7H,8-9H2,1-3H3
InChIKeyJHYGPSIBLSEUEI-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.27
Rot. Bonds5

About methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate

methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate (PubChem CID 56750581) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate
PubChem CID56750581
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Namemethyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C
InChIInChI=1S/C16H17F3N2O3/c1-10-13(8-21(2)9-14(22)23-3)20-15(24-10)11-5-4-6-12(7-11)16(17,18)19/h4-7H,8-9H2,1-3H3
InChIKeyJHYGPSIBLSEUEI-UHFFFAOYSA-N
XLogP3.27
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate 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

(2R)-3-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]propane-1,2-diol
CID 95202912
methyl 5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 122477173
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45215445
4-(cyclohexyloxymethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 141095379
2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 56757456
4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 56760665
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20860717
5-methyl-4-[(3-methyl-1,2,4-triazol-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750905
4-(1,4-diazepan-1-ylmethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole;dihydrochloride
CID 154889410
5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750372
1-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 149071004

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate (CID 56750581) is methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate is COC(=O)CN(C)Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C.
What is the InChIKey of methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate?
The InChIKey is JHYGPSIBLSEUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-10-13(8-21(2)9-14(22)23-3)20-15(24-10)11-5-4-6-12(7-11)16(17,18)19/h4-7H,8-9H2,1-3H3.
What are the key properties of methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate?
methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate has a molecular weight of 342.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate is sourced from PubChem (CID 56750581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).