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

C8H11N5O — CID 82669849

IUPAC(1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESC[C@H](N)c1nnc(-c2cncn2C)o1
InChIInChI=1S/C8H11N5O/c1-5(9)7-11-12-8(14-7)6-3-10-4-13(6)2/h3-5H,9H2,1-2H3/t5-/m0/s1
InChIKeyUWAINAMUKUQTBX-YFKPBYRVSA-N
MW193.21 g/mol
LogP0.49
Rot. Bonds2

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

(1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 82669849) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is (1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID82669849
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name(1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESC[C@H](N)c1nnc(-c2cncn2C)o1
InChIInChI=1S/C8H11N5O/c1-5(9)7-11-12-8(14-7)6-3-10-4-13(6)2/h3-5H,9H2,1-2H3/t5-/m0/s1
InChIKeyUWAINAMUKUQTBX-YFKPBYRVSA-N
XLogP0.49
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82668626
2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103511946
1-[5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070255
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66118508
4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82903110
(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046774
2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CID 75615616
1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106855921
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CID 75615615
1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070438
1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 103511982

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 82669849) is (1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is C[C@H](N)c1nnc(-c2cncn2C)o1.
What is the InChIKey of (1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is UWAINAMUKUQTBX-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(9)7-11-12-8(14-7)6-3-10-4-13(6)2/h3-5H,9H2,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
(1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 193.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 82669849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).