2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine

C14H23N3O2 — CID 110104945

IUPAC2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
SMILESCc1cnc(C2CN(CC3CCOCC3)CCO2)[nH]1
InChIInChI=1S/C14H23N3O2/c1-11-8-15-14(16-11)13-10-17(4-7-19-13)9-12-2-5-18-6-3-12/h8,12-13H,2-7,9-10H2,1H3,(H,15,16)
InChIKeyJDUQLRVLVRGEAP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.52
Rot. Bonds3

About 2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine

2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine (PubChem CID 110104945) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
PubChem CID110104945
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
SMILESCc1cnc(C2CN(CC3CCOCC3)CCO2)[nH]1
InChIInChI=1S/C14H23N3O2/c1-11-8-15-14(16-11)13-10-17(4-7-19-13)9-12-2-5-18-6-3-12/h8,12-13H,2-7,9-10H2,1H3,(H,15,16)
InChIKeyJDUQLRVLVRGEAP-UHFFFAOYSA-N
XLogP1.52
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine (CID 110104945) is 2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine is Cc1cnc(C2CN(CC3CCOCC3)CCO2)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine?
The InChIKey is JDUQLRVLVRGEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-8-15-14(16-11)13-10-17(4-7-19-13)9-12-2-5-18-6-3-12/h8,12-13H,2-7,9-10H2,1H3,(H,15,16).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine?
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine has a molecular weight of 265.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine is sourced from PubChem (CID 110104945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).