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

C17H15F3N4O — CID 91835896

IUPACN-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1nnc(-c2cccnc2)o1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O/c1-24(10-13-5-2-3-7-14(13)17(18,19)20)11-15-22-23-16(25-15)12-6-4-8-21-9-12/h2-9H,10-11H2,1H3
InChIKeyCUVYXUGFVRUJIC-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.78
Rot. Bonds5

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

N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 91835896) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID91835896
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC NameN-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1nnc(-c2cccnc2)o1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O/c1-24(10-13-5-2-3-7-14(13)17(18,19)20)11-15-22-23-16(25-15)12-6-4-8-21-9-12/h2-9H,10-11H2,1H3
InChIKeyCUVYXUGFVRUJIC-UHFFFAOYSA-N
XLogP3.78
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 171907211
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 91828962
1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 78824184
N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine
CID 91830312
2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 53017502
2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 145341963
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 87015904
1-(2-chlorophenyl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 110318782
N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
CID 865622
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
2-[(4-nitrophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 556141
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 91835896) is N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is CN(Cc1nnc(-c2cccnc2)o1)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is CUVYXUGFVRUJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-24(10-13-5-2-3-7-14(13)17(18,19)20)11-15-22-23-16(25-15)12-6-4-8-21-9-12/h2-9H,10-11H2,1H3.
What are the key properties of N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 348.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 91835896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).