formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine

C21H23N3O4 — CID 154923864

IUPACformic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine
SMILESO=CO.c1ccc(COc2ccc(-c3nccn3C3CCOCC3)cc2)nc1
InChIInChI=1S/C20H21N3O2.CH2O2/c1-2-10-21-17(3-1)15-25-19-6-4-16(5-7-19)20-22-11-12-23(20)18-8-13-24-14-9-18;2-1-3/h1-7,10-12,18H,8-9,13-15H2;1H,(H,2,3)
InChIKeyLZTGRXQQAVSLPO-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.58
Rot. Bonds5

About formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine

formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine (PubChem CID 154923864) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Nameformic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine
PubChem CID154923864
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Nameformic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine
SMILESO=CO.c1ccc(COc2ccc(-c3nccn3C3CCOCC3)cc2)nc1
InChIInChI=1S/C20H21N3O2.CH2O2/c1-2-10-21-17(3-1)15-25-19-6-4-16(5-7-19)20-22-11-12-23(20)18-8-13-24-14-9-18;2-1-3/h1-7,10-12,18H,8-9,13-15H2;1H,(H,2,3)
InChIKeyLZTGRXQQAVSLPO-UHFFFAOYSA-N
XLogP3.58
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine?
The IUPAC name of formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine (CID 154923864) is formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine.
What is the SMILES notation for formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine?
The canonical SMILES for formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine is O=CO.c1ccc(COc2ccc(-c3nccn3C3CCOCC3)cc2)nc1.
What is the InChIKey of formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine?
The InChIKey is LZTGRXQQAVSLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.CH2O2/c1-2-10-21-17(3-1)15-25-19-6-4-16(5-7-19)20-22-11-12-23(20)18-8-13-24-14-9-18;2-1-3/h1-7,10-12,18H,8-9,13-15H2;1H,(H,2,3).
What are the key properties of formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine?
formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine has a molecular weight of 381.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine is sourced from PubChem (CID 154923864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).