[4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate

C16H17F3N2O3 — CID 166189727

IUPAC[4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCC(C)c1noc(CCC(=O)OCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H17F3N2O3/c1-10(2)15-20-13(24-21-15)7-8-14(22)23-9-11-3-5-12(6-4-11)16(17,18)19/h3-6,10H,7-9H2,1-2H3
InChIKeySIUNBQVFKSVYSA-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.89
Rot. Bonds6

About [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate

[4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 166189727) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID166189727
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name[4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCC(C)c1noc(CCC(=O)OCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H17F3N2O3/c1-10(2)15-20-13(24-21-15)7-8-14(22)23-9-11-3-5-12(6-4-11)16(17,18)19/h3-6,10H,7-9H2,1-2H3
InChIKeySIUNBQVFKSVYSA-UHFFFAOYSA-N
XLogP3.89
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate 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

N-(4-tert-butylphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46446507
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 30591403
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999350
[3-(trifluoromethyl)phenyl]methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46627562
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 55540151
1-ethyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295594
N-[(4-chlorophenyl)methyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38767491
4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 80502975
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34775688
[4-(trifluoromethyl)phenyl]methyl 3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate
CID 122476800
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 119197084
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 47081216

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 166189727) is [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate is CC(C)c1noc(CCC(=O)OCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is SIUNBQVFKSVYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-10(2)15-20-13(24-21-15)7-8-14(22)23-9-11-3-5-12(6-4-11)16(17,18)19/h3-6,10H,7-9H2,1-2H3.
What are the key properties of [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
[4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 342.32 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 166189727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).