N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine

C28H38N4O3 — CID 142679823

IUPACN-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine
SMILESCOc1cccc(-c2cc(CN(C)CCCN3CCN(c4ccc(C)cc4C)CC3)on2)c1OC
InChIInChI=1S/C28H38N4O3/c1-21-10-11-26(22(2)18-21)32-16-14-31(15-17-32)13-7-12-30(3)20-23-19-25(29-35-23)24-8-6-9-27(33-4)28(24)34-5/h6,8-11,18-19H,7,12-17,20H2,1-5H3
InChIKeyYUTGHLGXLITKTP-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.62
Rot. Bonds10

About N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine

N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine (PubChem CID 142679823) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine
PubChem CID142679823
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC NameN-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine
SMILESCOc1cccc(-c2cc(CN(C)CCCN3CCN(c4ccc(C)cc4C)CC3)on2)c1OC
InChIInChI=1S/C28H38N4O3/c1-21-10-11-26(22(2)18-21)32-16-14-31(15-17-32)13-7-12-30(3)20-23-19-25(29-35-23)24-8-6-9-27(33-4)28(24)34-5/h6,8-11,18-19H,7,12-17,20H2,1-5H3
InChIKeyYUTGHLGXLITKTP-UHFFFAOYSA-N
XLogP4.62
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylethanamine
CID 142679597
N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine
CID 142679739
3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
CID 142679569
5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole
CID 143675910
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole
CID 22727335
N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 142679762
2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[[3-(4-phenoxyphenyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 142679409
3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431847
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanamine
CID 142679500
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 47030264
3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole
CID 22727360
1-(2-chloroethyl)-4-(2,4-dimethylphenyl)piperazine
CID 4741820

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine?
The IUPAC name of N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine (CID 142679823) is N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine is COc1cccc(-c2cc(CN(C)CCCN3CCN(c4ccc(C)cc4C)CC3)on2)c1OC.
What is the InChIKey of N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine?
The InChIKey is YUTGHLGXLITKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-21-10-11-26(22(2)18-21)32-16-14-31(15-17-32)13-7-12-30(3)20-23-19-25(29-35-23)24-8-6-9-27(33-4)28(24)34-5/h6,8-11,18-19H,7,12-17,20H2,1-5H3.
What are the key properties of N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine?
N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine has a molecular weight of 478.64 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 142679823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).