N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

C13H15F3N4O — CID 137341409

IUPACN-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C13H15F3N4O/c1-17-7-11-18-19-12(21-11)20(2)8-9-3-5-10(6-4-9)13(14,15)16/h3-6,17H,7-8H2,1-2H3
InChIKeyIXMXOPDDFVSCJD-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.44
Rot. Bonds5

About N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 137341409) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID137341409
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC NameN-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C13H15F3N4O/c1-17-7-11-18-19-12(21-11)20(2)8-9-3-5-10(6-4-9)13(14,15)16/h3-6,17H,7-8H2,1-2H3
InChIKeyIXMXOPDDFVSCJD-UHFFFAOYSA-N
XLogP2.44
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 137341409) is N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is CNCc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is IXMXOPDDFVSCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-17-7-11-18-19-12(21-11)20(2)8-9-3-5-10(6-4-9)13(14,15)16/h3-6,17H,7-8H2,1-2H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 300.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137341409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).