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

C10H15N5O — CID 106422447

IUPAC2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCc1nc(CCn2cncc2CCN)no1
InChIInChI=1S/C10H15N5O/c1-8-13-10(14-16-8)3-5-15-7-12-6-9(15)2-4-11/h6-7H,2-5,11H2,1H3
InChIKeyNXMLXDJUNMCEGV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.32
Rot. Bonds5

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

2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 106422447) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine
PubChem CID106422447
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCc1nc(CCn2cncc2CCN)no1
InChIInChI=1S/C10H15N5O/c1-8-13-10(14-16-8)3-5-15-7-12-6-9(15)2-4-11/h6-7H,2-5,11H2,1H3
InChIKeyNXMLXDJUNMCEGV-UHFFFAOYSA-N
XLogP0.32
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine (CID 106422447) is 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine is Cc1nc(CCn2cncc2CCN)no1.
What is the InChIKey of 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is NXMLXDJUNMCEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8-13-10(14-16-8)3-5-15-7-12-6-9(15)2-4-11/h6-7H,2-5,11H2,1H3.
What are the key properties of 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 221.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 106422447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).