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

C12H17N5O2 — CID 104894813

IUPAC(1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC1(c2noc([C@H](N)Cc3cnc[nH]3)n2)CCC1
InChIInChI=1S/C12H17N5O2/c1-18-12(3-2-4-12)11-16-10(19-17-11)9(13)5-8-6-14-7-15-8/h6-7,9H,2-5,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyIBNCXQZUMDOAGQ-SECBINFHSA-N
MW263.30 g/mol
LogP1.06
Rot. Bonds5

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

(1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104894813) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104894813
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC1(c2noc([C@H](N)Cc3cnc[nH]3)n2)CCC1
InChIInChI=1S/C12H17N5O2/c1-18-12(3-2-4-12)11-16-10(19-17-11)9(13)5-8-6-14-7-15-8/h6-7,9H,2-5,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyIBNCXQZUMDOAGQ-SECBINFHSA-N
XLogP1.06
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine
CID 116701304
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
(1R)-2-(1H-imidazol-5-yl)-1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894707
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894821
(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909661
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918176
(1S)-1-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894670
(1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894655
1-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 80609620
(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915552
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104894813) is (1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine is COC1(c2noc([C@H](N)Cc3cnc[nH]3)n2)CCC1.
What is the InChIKey of (1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is IBNCXQZUMDOAGQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-18-12(3-2-4-12)11-16-10(19-17-11)9(13)5-8-6-14-7-15-8/h6-7,9H,2-5,13H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 1.06, 5 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-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104894813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).