N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide

C19H17F3N4O3 — CID 51133659

IUPACN-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide
SMILESCC(C)C(NC(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C19H17F3N4O3/c1-11(2)15(18-25-16(26-29-18)12-7-9-23-10-8-12)24-17(27)13-3-5-14(6-4-13)28-19(20,21)22/h3-11,15H,1-2H3,(H,24,27)
InChIKeyXFOKUYNMWNSNOT-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.16
Rot. Bonds6

About N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide

N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide (PubChem CID 51133659) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide
PubChem CID51133659
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC NameN-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide
SMILESCC(C)C(NC(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C19H17F3N4O3/c1-11(2)15(18-25-16(26-29-18)12-7-9-23-10-8-12)24-17(27)13-3-5-14(6-4-13)28-19(20,21)22/h3-11,15H,1-2H3,(H,24,27)
InChIKeyXFOKUYNMWNSNOT-UHFFFAOYSA-N
XLogP4.16
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 83279748
4-chloro-N-[(1S,2R)-1-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]benzamide
CID 134228218
4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 134205298
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
3,4-dichloro-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 124848916
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 56561244
N-[(1S)-1-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-4-fluorobenzamide
CID 134228377
3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride
CID 119871681
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 166519106
tert-butyl N-[4-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-4-oxobutyl]carbamate
CID 56563623

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide (CID 51133659) is N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide is CC(C)C(NC(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is XFOKUYNMWNSNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-11(2)15(18-25-16(26-29-18)12-7-9-23-10-8-12)24-17(27)13-3-5-14(6-4-13)28-19(20,21)22/h3-11,15H,1-2H3,(H,24,27).
What are the key properties of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide?
N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 406.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 51133659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).