(1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine

C16H23N3O2 — CID 95282474

IUPAC(1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCCc1noc([C@@H](C)N(C)Cc2ccccc2OC)n1
InChIInChI=1S/C16H23N3O2/c1-5-8-15-17-16(21-18-15)12(2)19(3)11-13-9-6-7-10-14(13)20-4/h6-7,9-10,12H,5,8,11H2,1-4H3/t12-/m1/s1
InChIKeyQMFFZJXCNAZBHC-GFCCVEGCSA-N
MW289.38 g/mol
LogP3.22
Rot. Bonds7

About (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine

(1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 95282474) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID95282474
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCCc1noc([C@@H](C)N(C)Cc2ccccc2OC)n1
InChIInChI=1S/C16H23N3O2/c1-5-8-15-17-16(21-18-15)12(2)19(3)11-13-9-6-7-10-14(13)20-4/h6-7,9-10,12H,5,8,11H2,1-4H3/t12-/m1/s1
InChIKeyQMFFZJXCNAZBHC-GFCCVEGCSA-N
XLogP3.22
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine with MolForge

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Related Compounds

4-[[methyl-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzonitrile
CID 94104043
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 35155826
3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 63350470
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 126787533
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 61264013
6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17449981
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
(1S)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899370
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
N-[(2-methoxyphenyl)methyl]-N-[[4-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
CID 91167948
phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol
CID 63850614

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 95282474) is (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine is CCCc1noc([C@@H](C)N(C)Cc2ccccc2OC)n1.
What is the InChIKey of (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is QMFFZJXCNAZBHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-8-15-17-16(21-18-15)12(2)19(3)11-13-9-6-7-10-14(13)20-4/h6-7,9-10,12H,5,8,11H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
(1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 95282474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).