(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine

C14H19N3O2 — CID 95155397

IUPAC(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine
SMILESCc1noc([C@@H](C)N(C)CCOc2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-11(14-15-12(2)16-19-14)17(3)9-10-18-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyLCNAQKGYLGAZBW-LLVKDONJSA-N
MW261.32 g/mol
LogP2.45
Rot. Bonds6

About (1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine

(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine (PubChem CID 95155397) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine
PubChem CID95155397
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine
SMILESCc1noc([C@@H](C)N(C)CCOc2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-11(14-15-12(2)16-19-14)17(3)9-10-18-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyLCNAQKGYLGAZBW-LLVKDONJSA-N
XLogP2.45
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine
CID 60509136
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
CID 134038411
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 55590960
N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 51086780
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-(1,2,4-oxadiazol-5-yl)ethanamine
CID 71866127
5-(1-chloroethyl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 43150191
2-methoxy-N-methyl-N-(2-phenoxyethyl)-1-pyridin-2-ylethanamine
CID 91835024
1,2-dimethyl-1-(2-phenoxyethyl)hydrazine
CID 144720052
3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid
CID 119912223
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 95139304
N-benzyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130841233
(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95154008

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine?
The IUPAC name of (1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine (CID 95155397) is (1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine?
The canonical SMILES for (1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine is Cc1noc([C@@H](C)N(C)CCOc2ccccc2)n1.
What is the InChIKey of (1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine?
The InChIKey is LCNAQKGYLGAZBW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(14-15-12(2)16-19-14)17(3)9-10-18-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine?
(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine is sourced from PubChem (CID 95155397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).