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

C17H15F3N4O2 — CID 139006304

IUPACN-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCN(Cc1cccc(OC(F)(F)F)c1)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C17H15F3N4O2/c1-24(10-12-5-4-6-13(9-12)25-17(18,19)20)11-15-22-16(23-26-15)14-7-2-3-8-21-14/h2-9H,10-11H2,1H3
InChIKeyNCZZMZPWZGKUBQ-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.66
Rot. Bonds6

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

N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 139006304) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID139006304
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC NameN-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCN(Cc1cccc(OC(F)(F)F)c1)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C17H15F3N4O2/c1-24(10-12-5-4-6-13(9-12)25-17(18,19)20)11-15-22-16(23-26-15)14-7-2-3-8-21-14/h2-9H,10-11H2,1H3
InChIKeyNCZZMZPWZGKUBQ-UHFFFAOYSA-N
XLogP3.66
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 70761731
N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 87006808
1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26510056
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 33129363
1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346832
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
3-(2,4-difluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70771980
5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 20967064
N,2,2,6,6-pentamethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 42191280
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46487083
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine (CID 139006304) is N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine is CN(Cc1cccc(OC(F)(F)F)c1)Cc1nc(-c2ccccn2)no1.
What is the InChIKey of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is NCZZMZPWZGKUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-24(10-12-5-4-6-13(9-12)25-17(18,19)20)11-15-22-16(23-26-15)14-7-2-3-8-21-14/h2-9H,10-11H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 364.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 139006304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).