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

C9H11N3OS — CID 104899840

IUPAC(1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1cscc1-c1noc([C@@H](C)N)n1
InChIInChI=1S/C9H11N3OS/c1-5-3-14-4-7(5)8-11-9(6(2)10)13-12-8/h3-4,6H,10H2,1-2H3/t6-/m1/s1
InChIKeyLKLFQMVOXPAMLX-ZCFIWIBFSA-N
MW209.27 g/mol
LogP2.13
Rot. Bonds2

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

(1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104899840) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104899840
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1cscc1-c1noc([C@@H](C)N)n1
InChIInChI=1S/C9H11N3OS/c1-5-3-14-4-7(5)8-11-9(6(2)10)13-12-8/h3-4,6H,10H2,1-2H3/t6-/m1/s1
InChIKeyLKLFQMVOXPAMLX-ZCFIWIBFSA-N
XLogP2.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96782248
(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899860
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62387398
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008092
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 115444583
(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 130517493
4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 113280371
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548777
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104899840) is (1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is Cc1cscc1-c1noc([C@@H](C)N)n1.
What is the InChIKey of (1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is LKLFQMVOXPAMLX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5-3-14-4-7(5)8-11-9(6(2)10)13-12-8/h3-4,6H,10H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 209.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104899840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).