(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine

C13H14N6O — CID 104982353

IUPAC(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1ccncc1-c1noc([C@H](N)Cc2cnc[nH]2)n1
InChIInChI=1S/C13H14N6O/c1-8-2-3-15-6-10(8)12-18-13(20-19-12)11(14)4-9-5-16-7-17-9/h2-3,5-7,11H,4,14H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyYSLBEYUATZUKBR-LLVKDONJSA-N
MW270.30 g/mol
LogP1.41
Rot. Bonds4

About (1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine

(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104982353) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is (1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104982353
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1ccncc1-c1noc([C@H](N)Cc2cnc[nH]2)n1
InChIInChI=1S/C13H14N6O/c1-8-2-3-15-6-10(8)12-18-13(20-19-12)11(14)4-9-5-16-7-17-9/h2-3,5-7,11H,4,14H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyYSLBEYUATZUKBR-LLVKDONJSA-N
XLogP1.41
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104982353) is (1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine is Cc1ccncc1-c1noc([C@H](N)Cc2cnc[nH]2)n1.
What is the InChIKey of (1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is YSLBEYUATZUKBR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N6O/c1-8-2-3-15-6-10(8)12-18-13(20-19-12)11(14)4-9-5-16-7-17-9/h2-3,5-7,11H,4,14H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 270.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104982353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).