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

C15H16F3N3O3 — CID 140911369

IUPACN-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
SMILESCCC(=O)NC(C)(OC)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H16F3N3O3/c1-4-11(22)20-14(2,23-3)10-7-5-9(6-8-10)12-19-13(24-21-12)15(16,17)18/h5-8H,4H2,1-3H3,(H,20,22)
InChIKeyDEZGOOSQTIHIPU-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.10
Rot. Bonds5

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

N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide (PubChem CID 140911369) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
PubChem CID140911369
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
SMILESCCC(=O)NC(C)(OC)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H16F3N3O3/c1-4-11(22)20-14(2,23-3)10-7-5-9(6-8-10)12-19-13(24-21-12)15(16,17)18/h5-8H,4H2,1-3H3,(H,20,22)
InChIKeyDEZGOOSQTIHIPU-UHFFFAOYSA-N
XLogP3.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 155192602
3-methoxy-2-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]propanoic acid
CID 120531759
N,2-dimethyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 146270650
N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
2-methoxy-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 135281400
N-pentan-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138669517
3-[4-(2-bromo-1,1-dimethoxyethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 177169537
4-methoxy-3-methyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]butanoic acid
CID 120532254
N-[2-[methoxy-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]amino]-2-oxoethyl]propanamide
CID 166653754
N-[[2-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 135326209
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86812986

Frequently Asked Questions

What is the IUPAC name of N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide?
The IUPAC name of N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide (CID 140911369) is N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide.
What is the SMILES notation for N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide?
The canonical SMILES for N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide is CCC(=O)NC(C)(OC)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide?
The InChIKey is DEZGOOSQTIHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-4-11(22)20-14(2,23-3)10-7-5-9(6-8-10)12-19-13(24-21-12)15(16,17)18/h5-8H,4H2,1-3H3,(H,20,22).
What are the key properties of N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide?
N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide has a molecular weight of 343.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide is sourced from PubChem (CID 140911369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).