3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C17H15F3N4O3 — CID 24792963

IUPAC3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1cc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)o2)no1
InChIInChI=1S/C17H15F3N4O3/c1-10-7-13(24-27-10)16-23-22-15(26-16)6-5-14(25)21-9-11-3-2-4-12(8-11)17(18,19)20/h2-4,7-8H,5-6,9H2,1H3,(H,21,25)
InChIKeyCFYKUUCDNRKVCC-UHFFFAOYSA-N
MW380.33 g/mol
LogP3.30
Rot. Bonds6

About 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 24792963) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID24792963
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1cc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)o2)no1
InChIInChI=1S/C17H15F3N4O3/c1-10-7-13(24-27-10)16-23-22-15(26-16)6-5-14(25)21-9-11-3-2-4-12(8-11)17(18,19)20/h2-4,7-8H,5-6,9H2,1H3,(H,21,25)
InChIKeyCFYKUUCDNRKVCC-UHFFFAOYSA-N
XLogP3.30
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide 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 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 24792963) is 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is Cc1cc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)o2)no1.
What is the InChIKey of 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is CFYKUUCDNRKVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-10-7-13(24-27-10)16-23-22-15(26-16)6-5-14(25)21-9-11-3-2-4-12(8-11)17(18,19)20/h2-4,7-8H,5-6,9H2,1H3,(H,21,25).
What are the key properties of 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 380.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 24792963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).