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

C13H21F3N4O — CID 131913600

IUPACN-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCC(C)N1CCC(CN(C)Cc2nc(C(F)(F)F)no2)C1
InChIInChI=1S/C13H21F3N4O/c1-9(2)20-5-4-10(7-20)6-19(3)8-11-17-12(18-21-11)13(14,15)16/h9-10H,4-8H2,1-3H3
InChIKeyWZTSVMYSEMKHRF-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.25
Rot. Bonds5

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

N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 131913600) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID131913600
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC NameN-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCC(C)N1CCC(CN(C)Cc2nc(C(F)(F)F)no2)C1
InChIInChI=1S/C13H21F3N4O/c1-9(2)20-5-4-10(7-20)6-19(3)8-11-17-12(18-21-11)13(14,15)16/h9-10H,4-8H2,1-3H3
InChIKeyWZTSVMYSEMKHRF-UHFFFAOYSA-N
XLogP2.25
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63276008
2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63236755
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 45171143
2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine
CID 168724519
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636894
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081310
1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 74242475
1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081314
N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081030
N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 98773208
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080444
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 122565038

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 131913600) is N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CC(C)N1CCC(CN(C)Cc2nc(C(F)(F)F)no2)C1.
What is the InChIKey of N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is WZTSVMYSEMKHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-9(2)20-5-4-10(7-20)6-19(3)8-11-17-12(18-21-11)13(14,15)16/h9-10H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 306.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 131913600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).