2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride

C17H20ClN3O3 — CID 154890867

IUPAC2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
SMILESCOc1ccc(OC)c(-c2nc(Cn3ccnc3C)c(C)o2)c1.Cl
InChIInChI=1S/C17H19N3O3.ClH/c1-11-15(10-20-8-7-18-12(20)2)19-17(23-11)14-9-13(21-3)5-6-16(14)22-4;/h5-9H,10H2,1-4H3;1H
InChIKeyQKQMDNCRCJFLSL-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride

2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride (PubChem CID 154890867) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
PubChem CID154890867
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
SMILESCOc1ccc(OC)c(-c2nc(Cn3ccnc3C)c(C)o2)c1.Cl
InChIInChI=1S/C17H19N3O3.ClH/c1-11-15(10-20-8-7-18-12(20)2)19-17(23-11)14-9-13(21-3)5-6-16(14)22-4;/h5-9H,10H2,1-4H3;1H
InChIKeyQKQMDNCRCJFLSL-UHFFFAOYSA-N
XLogP3.64
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56757332
2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride
CID 154893005
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56754344
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-oxazole
CID 56750354
4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole
CID 56744602
5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
CID 56755977
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carbonitrile
CID 56865325
2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56880738
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 56871770
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56869440
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56738740
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride (CID 154890867) is 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride is COc1ccc(OC)c(-c2nc(Cn3ccnc3C)c(C)o2)c1.Cl.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride?
The InChIKey is QKQMDNCRCJFLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3.ClH/c1-11-15(10-20-8-7-18-12(20)2)19-17(23-11)14-9-13(21-3)5-6-16(14)22-4;/h5-9H,10H2,1-4H3;1H.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride?
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride has a molecular weight of 349.82 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 154890867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).