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

C19H17F3N4O2 — CID 87006808

IUPACN-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C19H17F3N4O2/c1-26(12-13-5-4-6-14(11-13)19(20,21)22)17(27)9-8-16-24-18(25-28-16)15-7-2-3-10-23-15/h2-7,10-11H,8-9,12H2,1H3
InChIKeyRJQXZOYBEPMZFS-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.74
Rot. Bonds6

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

N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 87006808) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID87006808
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C19H17F3N4O2/c1-26(12-13-5-4-6-14(11-13)19(20,21)22)17(27)9-8-16-24-18(25-28-16)15-7-2-3-10-23-15/h2-7,10-11H,8-9,12H2,1H3
InChIKeyRJQXZOYBEPMZFS-UHFFFAOYSA-N
XLogP3.74
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46430303
3-(2,4-difluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70771980
N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 33129363
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide
CID 70765176
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 137026778
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 110330721
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55569678
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86982425
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198217
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 87006808) is N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1nc(-c2ccccn2)no1.
What is the InChIKey of N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is RJQXZOYBEPMZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-26(12-13-5-4-6-14(11-13)19(20,21)22)17(27)9-8-16-24-18(25-28-16)15-7-2-3-10-23-15/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 390.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 87006808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).