(1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C12H15N3O — CID 96782248

IUPAC(1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1ccc(-c2noc([C@@H](C)N)n2)c(C)c1
InChIInChI=1S/C12H15N3O/c1-7-4-5-10(8(2)6-7)11-14-12(9(3)13)16-15-11/h4-6,9H,13H2,1-3H3/t9-/m1/s1
InChIKeyDWVFXFMTFPYTOM-SECBINFHSA-N
MW217.27 g/mol
LogP2.37
Rot. Bonds2

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

(1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 96782248) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID96782248
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1ccc(-c2noc([C@@H](C)N)n2)c(C)c1
InChIInChI=1S/C12H15N3O/c1-7-4-5-10(8(2)6-7)11-14-12(9(3)13)16-15-11/h4-6,9H,13H2,1-3H3/t9-/m1/s1
InChIKeyDWVFXFMTFPYTOM-SECBINFHSA-N
XLogP2.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899860
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62387398
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 114015423
(1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899840
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106789680
(1S,2R)-1-amino-1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103083443
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008092
2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103084077
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
(1S)-1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 103084135
(1S,2S)-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 106789684

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 96782248) is (1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is Cc1ccc(-c2noc([C@@H](C)N)n2)c(C)c1.
What is the InChIKey of (1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is DWVFXFMTFPYTOM-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-4-5-10(8(2)6-7)11-14-12(9(3)13)16-15-11/h4-6,9H,13H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 96782248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).