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

C11H16N6O2 — CID 107496449

IUPAC2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc(N3CCOCC3)no2)c1
InChIInChI=1S/C11H16N6O2/c12-1-2-16-7-9(13-8-16)10-14-11(15-19-10)17-3-5-18-6-4-17/h7-8H,1-6,12H2
InChIKeyMVAGRNSIUWYIGO-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.27
Rot. Bonds4

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

2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine (PubChem CID 107496449) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
PubChem CID107496449
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc(N3CCOCC3)no2)c1
InChIInChI=1S/C11H16N6O2/c12-1-2-16-7-9(13-8-16)10-14-11(15-19-10)17-3-5-18-6-4-17/h7-8H,1-6,12H2
InChIKeyMVAGRNSIUWYIGO-UHFFFAOYSA-N
XLogP-0.27
TPSA95.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine (CID 107496449) is 2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine is NCCn1cnc(-c2nc(N3CCOCC3)no2)c1.
What is the InChIKey of 2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine?
The InChIKey is MVAGRNSIUWYIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c12-1-2-16-7-9(13-8-16)10-14-11(15-19-10)17-3-5-18-6-4-17/h7-8H,1-6,12H2.
What are the key properties of 2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine?
2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine has a molecular weight of 264.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 107496449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).