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

C20H30N4O2 — CID 136564269

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56675706
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
3-(4-methoxyphenyl)-5-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30722370
4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole
CID 56672741
N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline
CID 56665812
N-benzyl-1-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-N-methylmethanamine
CID 56509250
N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928002
4-[(4,4-difluoropiperidin-1-yl)methyl]-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazole
CID 68503058
4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 80703344
N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenoxyethanamine
CID 56679919
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252

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).