[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

C13H13N5O — CID 117390951

IUPAC[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1ccnc1-c1ccccc1-c1noc(CN)n1
InChIInChI=1S/C13H13N5O/c1-18-7-6-15-13(18)10-5-3-2-4-9(10)12-16-11(8-14)19-17-12/h2-7H,8,14H2,1H3
InChIKeyHROZYQLTZBETQU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.60
Rot. Bonds3

About [3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117390951) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is [3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117390951
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1ccnc1-c1ccccc1-c1noc(CN)n1
InChIInChI=1S/C13H13N5O/c1-18-7-6-15-13(18)10-5-3-2-4-9(10)12-16-11(8-14)19-17-12/h2-7H,8,14H2,1H3
InChIKeyHROZYQLTZBETQU-UHFFFAOYSA-N
XLogP1.60
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359751
[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117354721
[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354726
[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117436157
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084
3-[2-(1-methylimidazol-2-yl)phenyl]propan-1-amine
CID 117307087
[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117463936
[3-(3-bromo-1-methylindol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117492159
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632
5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82845644
[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117399628

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117390951) is [3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is Cn1ccnc1-c1ccccc1-c1noc(CN)n1.
What is the InChIKey of [3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is HROZYQLTZBETQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-7-6-15-13(18)10-5-3-2-4-9(10)12-16-11(8-14)19-17-12/h2-7H,8,14H2,1H3.
What are the key properties of [3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 255.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117390951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).