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

C13H14F3N3O2 — CID 103212001

IUPACN-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNC(c1ccccc1)c1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C13H14F3N3O2/c1-17-11(9-5-3-2-4-6-9)12-19-18-10(21-12)7-20-8-13(14,15)16/h2-6,11,17H,7-8H2,1H3
InChIKeyIYMTWHITQHURFQ-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.46
Rot. Bonds6

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

N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 103212001) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID103212001
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC NameN-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNC(c1ccccc1)c1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C13H14F3N3O2/c1-17-11(9-5-3-2-4-6-9)12-19-18-10(21-12)7-20-8-13(14,15)16/h2-6,11,17H,7-8H2,1H3
InChIKeyIYMTWHITQHURFQ-UHFFFAOYSA-N
XLogP2.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62163381
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 103212002
1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 103212032
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine
CID 62164427
N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
CID 62162503
1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62162679
1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164944
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164426
1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 79085075
1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 52874291
phenyl-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 103472421
N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 65215921

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 103212001) is N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine is CNC(c1ccccc1)c1nnc(COCC(F)(F)F)o1.
What is the InChIKey of N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is IYMTWHITQHURFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-17-11(9-5-3-2-4-6-9)12-19-18-10(21-12)7-20-8-13(14,15)16/h2-6,11,17H,7-8H2,1H3.
What are the key properties of N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 301.27 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 103212001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).