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

C19H16F3N3O2 — CID 110334389

IUPAC3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1cccc(-c2nnc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)c1
InChIInChI=1S/C19H16F3N3O2/c1-12-3-2-4-13(11-12)18-25-24-17(27-18)10-9-16(26)23-15-7-5-14(6-8-15)19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,26)
InChIKeyHLTJEZPWBLEKQB-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.64
Rot. Bonds5

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

3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 110334389) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID110334389
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1cccc(-c2nnc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)c1
InChIInChI=1S/C19H16F3N3O2/c1-12-3-2-4-13(11-12)18-25-24-17(27-18)10-9-16(26)23-15-7-5-14(6-8-15)19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,26)
InChIKeyHLTJEZPWBLEKQB-UHFFFAOYSA-N
XLogP4.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334407
propan-2-yl 4-[3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 16588286
N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16588213
3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 110334418
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110319435
N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16588077
N-(4-acetamidophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334977
N-(1,3-thiazol-2-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16588059
N-(2-methoxyethyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334282
N-[(2-fluorophenyl)methyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334300
N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334279

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 110334389) is 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is Cc1cccc(-c2nnc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)c1.
What is the InChIKey of 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HLTJEZPWBLEKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-12-3-2-4-13(11-12)18-25-24-17(27-18)10-9-16(26)23-15-7-5-14(6-8-15)19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,26).
What are the key properties of 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 375.35 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 110334389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).