4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol

C11H13N3O3 — CID 136969288

IUPAC4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol
SMILESCOc1cc(-c2noc([C@@H](C)N)n2)ccc1O
InChIInChI=1S/C11H13N3O3/c1-6(12)11-13-10(14-17-11)7-3-4-8(15)9(5-7)16-2/h3-6,15H,12H2,1-2H3/t6-/m1/s1
InChIKeyWHTGHWPGFUSWRA-ZCFIWIBFSA-N
MW235.24 g/mol
LogP1.47
Rot. Bonds3

About 4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol

4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol (PubChem CID 136969288) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol
PubChem CID136969288
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol
SMILESCOc1cc(-c2noc([C@@H](C)N)n2)ccc1O
InChIInChI=1S/C11H13N3O3/c1-6(12)11-13-10(14-17-11)7-3-4-8(15)9(5-7)16-2/h3-6,15H,12H2,1-2H3/t6-/m1/s1
InChIKeyWHTGHWPGFUSWRA-ZCFIWIBFSA-N
XLogP1.47
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(1S)-1-aminopentyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol
CID 136718542
(2S)-2-amino-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 93251327
(1R)-1-[3-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901771
3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 120835627
(1S)-1-[3-(4-ethyl-3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 156843988
1-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 107922402
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43630163
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 119948388
4-[5-(1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889543
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol?
The IUPAC name of 4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol (CID 136969288) is 4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol?
The canonical SMILES for 4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol is COc1cc(-c2noc([C@@H](C)N)n2)ccc1O.
What is the InChIKey of 4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol?
The InChIKey is WHTGHWPGFUSWRA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6(12)11-13-10(14-17-11)7-3-4-8(15)9(5-7)16-2/h3-6,15H,12H2,1-2H3/t6-/m1/s1.
What are the key properties of 4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol?
4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol has a molecular weight of 235.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol is sourced from PubChem (CID 136969288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).