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

C9H13N5O — CID 106410264

IUPAC2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCc1nc(Cn2cncc2CCN)no1
InChIInChI=1S/C9H13N5O/c1-7-12-9(13-15-7)5-14-6-11-4-8(14)2-3-10/h4,6H,2-3,5,10H2,1H3
InChIKeyICCMFWHOGYEKMQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.12
Rot. Bonds4

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

2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 106410264) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID106410264
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCc1nc(Cn2cncc2CCN)no1
InChIInChI=1S/C9H13N5O/c1-7-12-9(13-15-7)5-14-6-11-4-8(14)2-3-10/h4,6H,2-3,5,10H2,1H3
InChIKeyICCMFWHOGYEKMQ-UHFFFAOYSA-N
XLogP0.12
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine (CID 106410264) is 2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine is Cc1nc(Cn2cncc2CCN)no1.
What is the InChIKey of 2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is ICCMFWHOGYEKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-7-12-9(13-15-7)5-14-6-11-4-8(14)2-3-10/h4,6H,2-3,5,10H2,1H3.
What are the key properties of 2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine?
2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 207.24 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 106410264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).