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

C18H14F3N3O2 — CID 110334418

IUPAC3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCc1cccc(-c2nnc(CCC(=O)Nc3ccc(F)c(F)c3F)o2)c1
InChIInChI=1S/C18H14F3N3O2/c1-10-3-2-4-11(9-10)18-24-23-15(26-18)8-7-14(25)22-13-6-5-12(19)16(20)17(13)21/h2-6,9H,7-8H2,1H3,(H,22,25)
InChIKeyLBNTXKKVHONWBC-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.03
Rot. Bonds5

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

3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 110334418) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID110334418
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCc1cccc(-c2nnc(CCC(=O)Nc3ccc(F)c(F)c3F)o2)c1
InChIInChI=1S/C18H14F3N3O2/c1-10-3-2-4-11(9-10)18-24-23-15(26-18)8-7-14(25)22-13-6-5-12(19)16(20)17(13)21/h2-6,9H,7-8H2,1H3,(H,22,25)
InChIKeyLBNTXKKVHONWBC-UHFFFAOYSA-N
XLogP4.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370
3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 110334389
N-[(2-fluorophenyl)methyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334300
2,3,4-trifluoro-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321334
N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334933
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334407
N-(2-methoxyethyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334282
N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334279
N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16588077
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide (CID 110334418) is 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide is Cc1cccc(-c2nnc(CCC(=O)Nc3ccc(F)c(F)c3F)o2)c1.
What is the InChIKey of 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is LBNTXKKVHONWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-10-3-2-4-11(9-10)18-24-23-15(26-18)8-7-14(25)22-13-6-5-12(19)16(20)17(13)21/h2-6,9H,7-8H2,1H3,(H,22,25).
What are the key properties of 3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 361.32 g/mol, XLogP of 4.03, 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-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 110334418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).