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

C13H17N3O3 — CID 82000982

IUPAC(1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OCc2nc(C)no2)c1
InChIInChI=1S/C13H17N3O3/c1-8(14)11-5-4-10(17-3)6-12(11)18-7-13-15-9(2)16-19-13/h4-6,8H,7,14H2,1-3H3/t8-/m1/s1
InChIKeyHLBIIRQIDBAPDR-MRVPVSSYSA-N
MW263.30 g/mol
LogP1.99
Rot. Bonds5

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

(1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 82000982) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID82000982
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OCc2nc(C)no2)c1
InChIInChI=1S/C13H17N3O3/c1-8(14)11-5-4-10(17-3)6-12(11)18-7-13-15-9(2)16-19-13/h4-6,8H,7,14H2,1-3H3/t8-/m1/s1
InChIKeyHLBIIRQIDBAPDR-MRVPVSSYSA-N
XLogP1.99
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

(1S)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 82002108
1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61269478
(1R)-1-[4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanamine
CID 82000081
(1R)-1-[4-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 63650708
(1S)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001713
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000899
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methylphenyl]ethanamine
CID 63639421
(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82001527
(1S)-1-[4-methoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 82002744
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine
CID 82002712
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine (CID 82000982) is (1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine is COc1ccc([C@@H](C)N)c(OCc2nc(C)no2)c1.
What is the InChIKey of (1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is HLBIIRQIDBAPDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(14)11-5-4-10(17-3)6-12(11)18-7-13-15-9(2)16-19-13/h4-6,8H,7,14H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 82000982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).