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

C17H23N3O2 — CID 56819748

IUPAC2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCOc1cccc(N2CCN(Cc3nc(C)c(C)o3)CC2)c1
InChIInChI=1S/C17H23N3O2/c1-13-14(2)22-17(18-13)12-19-7-9-20(10-8-19)15-5-4-6-16(11-15)21-3/h4-6,11H,7-10,12H2,1-3H3
InChIKeyWNSFFIILJHFGBX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.62
Rot. Bonds4

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

2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 56819748) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID56819748
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCOc1cccc(N2CCN(Cc3nc(C)c(C)o3)CC2)c1
InChIInChI=1S/C17H23N3O2/c1-13-14(2)22-17(18-13)12-19-7-9-20(10-8-19)15-5-4-6-16(11-15)21-3/h4-6,11H,7-10,12H2,1-3H3
InChIKeyWNSFFIILJHFGBX-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824709
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8592317
1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
CID 3067874
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 38125111
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 46923403
1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine
CID 1375734
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine
CID 4992251
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 56819748) is 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is COc1cccc(N2CCN(Cc3nc(C)c(C)o3)CC2)c1.
What is the InChIKey of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is WNSFFIILJHFGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-14(2)22-17(18-13)12-19-7-9-20(10-8-19)15-5-4-6-16(11-15)21-3/h4-6,11H,7-10,12H2,1-3H3.
What are the key properties of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 301.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 56819748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).