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

C13H14F3N3O2 — CID 144507678

IUPACN,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C13H14F3N3O2/c1-19(2)10(20)7-8-3-5-9(6-4-8)11-17-12(21-18-11)13(14,15)16/h3-6,12H,7H2,1-2H3,(H,17,18)
InChIKeyNUEZQFBQYKIFSF-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.49
Rot. Bonds3

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

N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 144507678) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID144507678
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC NameN,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C13H14F3N3O2/c1-19(2)10(20)7-8-3-5-9(6-4-8)11-17-12(21-18-11)13(14,15)16/h3-6,12H,7H2,1-2H3,(H,17,18)
InChIKeyNUEZQFBQYKIFSF-UHFFFAOYSA-N
XLogP1.49
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(Trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
CID 130179772
2-[4-[5-(Trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 139383369
4-[[5-(Trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 139383755
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
CID 139469215
4-[5-(Difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
CID 139473661
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 139473687
Ethane;2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 145572467
N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 153401296
2,2-difluoro-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylacetamide
CID 153527485
N-methyl-N-[5-[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]pentyl]formamide
CID 156470695
N-hydroxy-4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
CID 156479979
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N'-methylbenzenecarboximidamide;2,2,2-trifluoroacetaldehyde
CID 159092463

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 144507678) is N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CN(C)C(=O)Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is NUEZQFBQYKIFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-19(2)10(20)7-8-3-5-9(6-4-8)11-17-12(21-18-11)13(14,15)16/h3-6,12H,7H2,1-2H3,(H,17,18).
What are the key properties of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 301.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 144507678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).