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

C14H14F3N3O2 — CID 67323149

IUPACN-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCN(CCc1noc(C(F)(F)F)n1)C(=O)Cc1ccccc1
InChIInChI=1S/C14H14F3N3O2/c1-20(12(21)9-10-5-3-2-4-6-10)8-7-11-18-13(22-19-11)14(15,16)17/h2-6H,7-9H2,1H3
InChIKeyOEAKBYCYTSSDAB-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.33
Rot. Bonds5

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

N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (PubChem CID 67323149) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
PubChem CID67323149
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCN(CCc1noc(C(F)(F)F)n1)C(=O)Cc1ccccc1
InChIInChI=1S/C14H14F3N3O2/c1-20(12(21)9-10-5-3-2-4-6-10)8-7-11-18-13(22-19-11)14(15,16)17/h2-6H,7-9H2,1H3
InChIKeyOEAKBYCYTSSDAB-UHFFFAOYSA-N
XLogP2.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-oxo-4-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
CID 118774316
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-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-2-phenylacetamide
CID 53032865
N-methyl-N-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylacetamide
CID 50765647
N-methyl-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110715989
N-cyclopropyl-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 155768569
1-[3-[N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]anilino]azetidin-1-yl]-2-phenylethanone
CID 146461648
2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 118764408
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
N-methyl-N-[2-(methylamino)ethyl]-2-phenylacetamide
CID 23084464
N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide
CID 156903066

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The IUPAC name of N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (CID 67323149) is N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is CN(CCc1noc(C(F)(F)F)n1)C(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The InChIKey is OEAKBYCYTSSDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-20(12(21)9-10-5-3-2-4-6-10)8-7-11-18-13(22-19-11)14(15,16)17/h2-6H,7-9H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide has a molecular weight of 313.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 67323149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).