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

C18H22F3N3O3 — CID 100756287

IUPACN-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)OCCCNC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C18H22F3N3O3/c1-12(2)26-10-4-9-22-15(25)7-8-16-23-17(24-27-16)13-5-3-6-14(11-13)18(19,20)21/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,22,25)
InChIKeyWYBXZEFKNDPYRI-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.62
Rot. Bonds9

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

N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 100756287) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID100756287
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC NameN-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)OCCCNC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C18H22F3N3O3/c1-12(2)26-10-4-9-22-15(25)7-8-16-23-17(24-27-16)13-5-3-6-14(11-13)18(19,20)21/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,22,25)
InChIKeyWYBXZEFKNDPYRI-UHFFFAOYSA-N
XLogP3.62
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide 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-(3-ethoxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756276
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 2028921
N-[(1R)-1-phenylethyl]-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100755550
N-[1-(4-methoxyphenyl)ethyl]-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 133200589
N-benzhydryl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756426
N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 133200584
N-(2,5-dichlorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100755858
N-(2-phenylsulfanylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756344
N-[3-(3-methylphenoxy)propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24525020
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756022
N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101299

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 100756287) is N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide is CC(C)OCCCNC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is WYBXZEFKNDPYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c1-12(2)26-10-4-9-22-15(25)7-8-16-23-17(24-27-16)13-5-3-6-14(11-13)18(19,20)21/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,22,25).
What are the key properties of N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 385.39 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 100756287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).