2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride

C16H18ClN3O3 — CID 154893005

IUPAC2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride
SMILESCOc1ccc(OC)c(-c2nc(Cn3ccnc3)c(C)o2)c1.Cl
InChIInChI=1S/C16H17N3O3.ClH/c1-11-14(9-19-7-6-17-10-19)18-16(22-11)13-8-12(20-2)4-5-15(13)21-3;/h4-8,10H,9H2,1-3H3;1H
InChIKeyYULNJGVWFVWHRO-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.33
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride

2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride (PubChem CID 154893005) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride
PubChem CID154893005
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride
SMILESCOc1ccc(OC)c(-c2nc(Cn3ccnc3)c(C)o2)c1.Cl
InChIInChI=1S/C16H17N3O3.ClH/c1-11-14(9-19-7-6-17-10-19)18-16(22-11)13-8-12(20-2)4-5-15(13)21-3;/h4-8,10H,9H2,1-3H3;1H
InChIKeyYULNJGVWFVWHRO-UHFFFAOYSA-N
XLogP3.33
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 154890867
1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole
CID 56744602
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carbonitrile
CID 56865325
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-oxazole
CID 56750354
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56869440
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 56871770
2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56880738
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626
2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42304580
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
CID 56741138
1-[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56867120

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride (CID 154893005) is 2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride is COc1ccc(OC)c(-c2nc(Cn3ccnc3)c(C)o2)c1.Cl.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride?
The InChIKey is YULNJGVWFVWHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3.ClH/c1-11-14(9-19-7-6-17-10-19)18-16(22-11)13-8-12(20-2)4-5-15(13)21-3;/h4-8,10H,9H2,1-3H3;1H.
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride?
2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride has a molecular weight of 335.79 g/mol, XLogP of 3.33, 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)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride is sourced from PubChem (CID 154893005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).