N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine

C23H25F3N4O — CID 59643580

IUPACN,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(-c3nnc(CCc4ccc(C(F)(F)F)cc4)o3)cc2)C1
InChIInChI=1S/C23H25F3N4O/c1-29(2)20-13-14-30(15-20)19-10-6-17(7-11-19)22-28-27-21(31-22)12-5-16-3-8-18(9-4-16)23(24,25)26/h3-4,6-11,20H,5,12-15H2,1-2H3
InChIKeyHCDGUZIASJQTPT-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.68
Rot. Bonds6

About N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine

N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine (PubChem CID 59643580) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
PubChem CID59643580
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC NameN,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(-c3nnc(CCc4ccc(C(F)(F)F)cc4)o3)cc2)C1
InChIInChI=1S/C23H25F3N4O/c1-29(2)20-13-14-30(15-20)19-10-6-17(7-11-19)22-28-27-21(31-22)12-5-16-3-8-18(9-4-16)23(24,25)26/h3-4,6-11,20H,5,12-15H2,1-2H3
InChIKeyHCDGUZIASJQTPT-UHFFFAOYSA-N
XLogP4.68
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 59643598
N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
CID 59643565
N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
CID 59643567
N,N-dimethyl-1-[4-[5-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
CID 59643596
2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 59454427
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
CID 63164119
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 91525485
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58866968
[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
CID 68574706
N,N-dimethyl-1-[4-[5-[(1E,3E,4Z)-6-propan-2-yloxy-3-propylidenehepta-1,4-dienyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
CID 143081326
[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methanone
CID 56598127
2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615219

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine (CID 59643580) is N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine is CN(C)C1CCN(c2ccc(-c3nnc(CCc4ccc(C(F)(F)F)cc4)o3)cc2)C1.
What is the InChIKey of N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The InChIKey is HCDGUZIASJQTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-29(2)20-13-14-30(15-20)19-10-6-17(7-11-19)22-28-27-21(31-22)12-5-16-3-8-18(9-4-16)23(24,25)26/h3-4,6-11,20H,5,12-15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine has a molecular weight of 430.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 59643580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).