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

C16H23N3O2 — CID 94104056

IUPAC(1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCOc1ccccc1[C@@H](C)N(C)Cc1nc(C(C)C)no1
InChIInChI=1S/C16H23N3O2/c1-11(2)16-17-15(21-18-16)10-19(4)12(3)13-8-6-7-9-14(13)20-5/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1
InChIKeyJWGYWQYNXLUCIJ-GFCCVEGCSA-N
MW289.38 g/mol
LogP3.39
Rot. Bonds6

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

(1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 94104056) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID94104056
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCOc1ccccc1[C@@H](C)N(C)Cc1nc(C(C)C)no1
InChIInChI=1S/C16H23N3O2/c1-11(2)16-17-15(21-18-16)10-19(4)12(3)13-8-6-7-9-14(13)20-5/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1
InChIKeyJWGYWQYNXLUCIJ-GFCCVEGCSA-N
XLogP3.39
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51078362
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine
CID 95120663
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 35155826
1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 171997378
(2S)-2-(2-ethoxy-3-pyridinyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 97186887
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
(1S)-1-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-amine
CID 78933043
(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 95787187
2-(2-fluoro-5-methoxyphenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 72909278
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
CID 94407176
N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45223878

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 94104056) is (1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is COc1ccccc1[C@@H](C)N(C)Cc1nc(C(C)C)no1.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is JWGYWQYNXLUCIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)16-17-15(21-18-16)10-19(4)12(3)13-8-6-7-9-14(13)20-5/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
(1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 94104056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).