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4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole

C20H30N4O2 — CID 136564269

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole
SMILESCCOc1ccc(-c2nc(CN3CCN(C)CCN(C)CC3)co2)cc1
InChIInChI=1S/C20H30N4O2/c1-4-25-19-7-5-17(6-8-19)20-21-18(16-26-20)15-24-13-11-22(2)9-10-23(3)12-14-24/h5-8,16H,4,9-15H2,1-3H3
InChIKeyOMIPNKZAESSUAJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.42
Rot. Bonds5

About 4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole

4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole (PubChem CID 136564269) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole
PubChem CID136564269
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole
SMILESCCOc1ccc(-c2nc(CN3CCN(C)CCN(C)CC3)co2)cc1
InChIInChI=1S/C20H30N4O2/c1-4-25-19-7-5-17(6-8-19)20-21-18(16-26-20)15-24-13-11-22(2)9-10-23(3)12-14-24/h5-8,16H,4,9-15H2,1-3H3
InChIKeyOMIPNKZAESSUAJ-UHFFFAOYSA-N
XLogP2.42
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole (CID 136564269) is 4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole is CCOc1ccc(-c2nc(CN3CCN(C)CCN(C)CC3)co2)cc1.
What is the InChIKey of 4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole?
The InChIKey is OMIPNKZAESSUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-25-19-7-5-17(6-8-19)20-21-18(16-26-20)15-24-13-11-22(2)9-10-23(3)12-14-24/h5-8,16H,4,9-15H2,1-3H3.
What are the key properties of 4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole?
4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole has a molecular weight of 358.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 136564269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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