2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole

C17H23N3O2 — CID 71877632

IUPAC2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(CN3CCN(C)CC3C)o2)cc1
InChIInChI=1S/C17H23N3O2/c1-13-11-19(2)8-9-20(13)12-17-18-10-16(22-17)14-4-6-15(21-3)7-5-14/h4-7,10,13H,8-9,11-12H2,1-3H3
InChIKeyVNJOEZBMCMZTBJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.49
Rot. Bonds4

About 2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole

2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 71877632) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
PubChem CID71877632
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(CN3CCN(C)CC3C)o2)cc1
InChIInChI=1S/C17H23N3O2/c1-13-11-19(2)8-9-20(13)12-17-18-10-16(22-17)14-4-6-15(21-3)7-5-14/h4-7,10,13H,8-9,11-12H2,1-3H3
InChIKeyVNJOEZBMCMZTBJ-UHFFFAOYSA-N
XLogP2.49
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 71885006
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250
2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 56502007
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 86959173
5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 56781184
[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
CID 80505307
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 48632204
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole (CID 71877632) is 2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2cnc(CN3CCN(C)CC3C)o2)cc1.
What is the InChIKey of 2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is VNJOEZBMCMZTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-11-19(2)8-9-20(13)12-17-18-10-16(22-17)14-4-6-15(21-3)7-5-14/h4-7,10,13H,8-9,11-12H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole?
2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 301.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 71877632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).