(1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine

C15H18F3N3O2 — CID 95629815

IUPAC(1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOC[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1nnc(C)o1
InChIInChI=1S/C15H18F3N3O2/c1-10-19-20-14(23-10)8-21(2)13(9-22-3)11-5-4-6-12(7-11)15(16,17)18/h4-7,13H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyNNWQRJVDEIRJED-CYBMUJFWSA-N
MW329.32 g/mol
LogP3.22
Rot. Bonds6

About (1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine

(1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 95629815) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is (1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID95629815
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name(1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOC[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1nnc(C)o1
InChIInChI=1S/C15H18F3N3O2/c1-10-19-20-14(23-10)8-21(2)13(9-22-3)11-5-4-6-12(7-11)15(16,17)18/h4-7,13H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyNNWQRJVDEIRJED-CYBMUJFWSA-N
XLogP3.22
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 51086803
3-[Methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 72115490
(3R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4-fluorophenyl)morpholine
CID 164636241
(1R)-1-(3,4-difluorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 40130384
(1S)-1-(3,4-difluorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 40130386
1-(3,4-difluorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 42936104
[[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl](isopropyl)amino](4-fluoro-3-methylphenyl)acetic acid
CID 46999830
2-Methyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 47010647
N-[(2,4-difluorophenyl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 52344846
(2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 52401358
(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 52401360
1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53624551

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 95629815) is (1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is COC[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1nnc(C)o1.
What is the InChIKey of (1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is NNWQRJVDEIRJED-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-10-19-20-14(23-10)8-21(2)13(9-22-3)11-5-4-6-12(7-11)15(16,17)18/h4-7,13H,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
(1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 329.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 95629815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).