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

C21H19F3N4O2 — CID 60537386

IUPACN-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C21H19F3N4O2/c1-12-2-3-14(20(29)26-16-8-9-16)10-17(12)25-11-18-27-19(28-30-18)13-4-6-15(7-5-13)21(22,23)24/h2-7,10,16,25H,8-9,11H2,1H3,(H,26,29)
InChIKeyUEHPBVFYJJRGPO-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.57
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide (PubChem CID 60537386) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
PubChem CID60537386
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC NameN-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C21H19F3N4O2/c1-12-2-3-14(20(29)26-16-8-9-16)10-17(12)25-11-18-27-19(28-30-18)13-4-6-15(7-5-13)21(22,23)24/h2-7,10,16,25H,8-9,11H2,1H3,(H,26,29)
InChIKeyUEHPBVFYJJRGPO-UHFFFAOYSA-N
XLogP4.57
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-methylbenzamide
CID 60537287
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-cyclohexyl-3-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539086
N-ethyl-4-methyl-3-[[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 99631138
N-cyclobutyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230838
2-chloro-4-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 43052558
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide
CID 34216722
N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489709
4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55898647
2-methyl-N-[1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]propanamide
CID 55739060
N-cyclopropyl-2-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 146268616
N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide
CID 55917739

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide (CID 60537386) is N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The InChIKey is UEHPBVFYJJRGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-12-2-3-14(20(29)26-16-8-9-16)10-17(12)25-11-18-27-19(28-30-18)13-4-6-15(7-5-13)21(22,23)24/h2-7,10,16,25H,8-9,11H2,1H3,(H,26,29).
What are the key properties of N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide has a molecular weight of 416.40 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 60537386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).