3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine

C12H19N3O2 — CID 116881072

IUPAC3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine
SMILESc1nc(C2COCCN2)[nH]c1C1CCOCC1
InChIInChI=1S/C12H19N3O2/c1-4-16-5-2-9(1)10-7-14-12(15-10)11-8-17-6-3-13-11/h7,9,11,13H,1-6,8H2,(H,14,15)
InChIKeyWZDGIYBLHCKFNI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.96
Rot. Bonds2

About 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine

3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine (PubChem CID 116881072) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine
PubChem CID116881072
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine
SMILESc1nc(C2COCCN2)[nH]c1C1CCOCC1
InChIInChI=1S/C12H19N3O2/c1-4-16-5-2-9(1)10-7-14-12(15-10)11-8-17-6-3-13-11/h7,9,11,13H,1-6,8H2,(H,14,15)
InChIKeyWZDGIYBLHCKFNI-UHFFFAOYSA-N
XLogP0.96
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine (CID 116881072) is 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine is c1nc(C2COCCN2)[nH]c1C1CCOCC1.
What is the InChIKey of 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine?
The InChIKey is WZDGIYBLHCKFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-16-5-2-9(1)10-7-14-12(15-10)11-8-17-6-3-13-11/h7,9,11,13H,1-6,8H2,(H,14,15).
What are the key properties of 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine?
3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine has a molecular weight of 237.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 116881072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).