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

C19H17F3N4O2 — CID 87029316

IUPACN,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C
InChIInChI=1S/C19H17F3N4O2/c1-11-14(18(27)23-2)7-4-8-15(11)24-10-16-25-17(26-28-16)12-5-3-6-13(9-12)19(20,21)22/h3-9,24H,10H2,1-2H3,(H,23,27)
InChIKeyWQRBABMNZNBRTM-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.04
Rot. Bonds5

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

N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide (PubChem CID 87029316) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
PubChem CID87029316
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C
InChIInChI=1S/C19H17F3N4O2/c1-11-14(18(27)23-2)7-4-8-15(11)24-10-16-25-17(26-28-16)12-5-3-6-13(9-12)19(20,21)22/h3-9,24H,10H2,1-2H3,(H,23,27)
InChIKeyWQRBABMNZNBRTM-UHFFFAOYSA-N
XLogP4.04
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 60537513
N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 6471602
2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55897568
N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 83278485
2-pyrazol-1-yl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 55897310
4-methyl-7-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]chromen-2-one
CID 42949726
N-methyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 24595481
1,1-difluoro-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346960
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
methyl (3S)-3-(3-methoxyphenyl)-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]butanoate
CID 99792168
methyl 3-(3-methoxyphenyl)-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]butanoate
CID 102562505
N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 171682383

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The IUPAC name of N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide (CID 87029316) is N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide is CNC(=O)c1cccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C.
What is the InChIKey of N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The InChIKey is WQRBABMNZNBRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11-14(18(27)23-2)7-4-8-15(11)24-10-16-25-17(26-28-16)12-5-3-6-13(9-12)19(20,21)22/h3-9,24H,10H2,1-2H3,(H,23,27).
What are the key properties of N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide has a molecular weight of 390.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 87029316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).