(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C8H10N4O2 — CID 130517493

IUPAC(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1nc(-c2noc([C@H](C)N)n2)co1
InChIInChI=1S/C8H10N4O2/c1-4(9)8-11-7(12-14-8)6-3-13-5(2)10-6/h3-4H,9H2,1-2H3/t4-/m0/s1
InChIKeyTUZBYBOQUYNBIP-BYPYZUCNSA-N
MW194.19 g/mol
LogP1.05
Rot. Bonds2

About (1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine

(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 130517493) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is (1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID130517493
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1nc(-c2noc([C@H](C)N)n2)co1
InChIInChI=1S/C8H10N4O2/c1-4(9)8-11-7(12-14-8)6-3-13-5(2)10-6/h3-4H,9H2,1-2H3/t4-/m0/s1
InChIKeyTUZBYBOQUYNBIP-BYPYZUCNSA-N
XLogP1.05
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114282704
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899796
5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 130517490
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
(1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899840
N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 130517495
(1S)-1-[3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 155272335
5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 99963115
(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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 130517493) is (1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is Cc1nc(-c2noc([C@H](C)N)n2)co1.
What is the InChIKey of (1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is TUZBYBOQUYNBIP-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-4(9)8-11-7(12-14-8)6-3-13-5(2)10-6/h3-4H,9H2,1-2H3/t4-/m0/s1.
What are the key properties of (1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 194.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 130517493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).