N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide

C16H16F3N3O3 — CID 118774316

IUPACN-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
SMILESCN(CCc1noc(C(F)(F)F)n1)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C16H16F3N3O3/c1-22(10-9-13-20-15(25-21-13)16(17,18)19)14(24)8-7-12(23)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyPDBVZGJTDPVYPI-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.75
Rot. Bonds7

About N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide

N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide (PubChem CID 118774316) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
PubChem CID118774316
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
SMILESCN(CCc1noc(C(F)(F)F)n1)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C16H16F3N3O3/c1-22(10-9-13-20-15(25-21-13)16(17,18)19)14(24)8-7-12(23)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyPDBVZGJTDPVYPI-UHFFFAOYSA-N
XLogP2.75
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide 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-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 67323149
N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 90651141
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide
CID 86979897
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]-methylamino]propanoic acid
CID 119362286
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide
CID 110354210
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide
CID 77098040
N-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-2-phenylacetamide
CID 53032865
3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide
CID 91842616
N,N-dibutyl-4-oxo-4-phenylbutanamide
CID 10684868
N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 71557119
1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 103476745

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The IUPAC name of N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide (CID 118774316) is N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide.
What is the SMILES notation for N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The canonical SMILES for N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide is CN(CCc1noc(C(F)(F)F)n1)C(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The InChIKey is PDBVZGJTDPVYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-22(10-9-13-20-15(25-21-13)16(17,18)19)14(24)8-7-12(23)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide has a molecular weight of 355.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide is sourced from PubChem (CID 118774316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).