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

C16H20F3N3O2 — CID 153401296

IUPACN-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
SMILESCCCC(=O)N(C)Cc1ccc(C2=NC(C)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C16H20F3N3O2/c1-4-5-13(23)22(3)10-11-6-8-12(9-7-11)14-20-15(2,24-21-14)16(17,18)19/h6-9H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyIHROJFJPMRLBMP-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.01
Rot. Bonds5

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

N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide (PubChem CID 153401296) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
PubChem CID153401296
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC NameN-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
SMILESCCCC(=O)N(C)Cc1ccc(C2=NC(C)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C16H20F3N3O2/c1-4-5-13(23)22(3)10-11-6-8-12(9-7-11)14-20-15(2,24-21-14)16(17,18)19/h6-9H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyIHROJFJPMRLBMP-UHFFFAOYSA-N
XLogP3.01
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-Difluorophenyl)[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]methanone
CID 91888882
8-(2,5-Difluorobenzoyl)-3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
CID 91888883
2-(3-Fluorophenyl)-1-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-1-ethanone
CID 91916745
2-(4-Fluorophenyl)-1-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-1-ethanone
CID 91916749
8-(3,4-Difluorobenzoyl)-3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
CID 91916764
1-[3-(4-Methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-EN-8-YL]-3-phenylpropan-1-one
CID 91906499
N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 17087953
N-benzyl-2-[3-(2-fluorophenyl)-2,5-dimethyl-1,2,4-oxadiazol-5-yl]acetamide
CID 71728797
2-[2,5-dimethyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylacetamide
CID 132470491
2-[2,5-dimethyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylacetamide
CID 132470519
2-(4-{[ethyl(methyl)amino]methyl}phenyl)-5-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135966358
2,2,2-trifluoro-N-[(1S)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]ethyl]acetamide
CID 58507062

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide?
The IUPAC name of N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide (CID 153401296) is N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide.
What is the SMILES notation for N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide?
The canonical SMILES for N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide is CCCC(=O)N(C)Cc1ccc(C2=NC(C)(C(F)(F)F)ON2)cc1.
What is the InChIKey of N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide?
The InChIKey is IHROJFJPMRLBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-4-5-13(23)22(3)10-11-6-8-12(9-7-11)14-20-15(2,24-21-14)16(17,18)19/h6-9H,4-5,10H2,1-3H3,(H,20,21).
What are the key properties of N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide?
N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide has a molecular weight of 343.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide is sourced from PubChem (CID 153401296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).