N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine

C28H32N6O2 — CID 142679984

IUPACN-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
SMILESCN(CCN1CCN(c2ncccn2)CC1)Cc1cc(-c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C28H32N6O2/c1-32(14-15-33-16-18-34(19-17-33)28-29-12-5-13-30-28)21-26-20-27(31-36-26)24-8-10-25(11-9-24)35-22-23-6-3-2-4-7-23/h2-13,20H,14-19,21-22H2,1H3
InChIKeyWBINDSXMIQHPDH-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.96
Rot. Bonds10

About N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine

N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine (PubChem CID 142679984) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
PubChem CID142679984
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC NameN-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
SMILESCN(CCN1CCN(c2ncccn2)CC1)Cc1cc(-c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C28H32N6O2/c1-32(14-15-33-16-18-34(19-17-33)28-29-12-5-13-30-28)21-26-20-27(31-36-26)24-8-10-25(11-9-24)35-22-23-6-3-2-4-7-23/h2-13,20H,14-19,21-22H2,1H3
InChIKeyWBINDSXMIQHPDH-UHFFFAOYSA-N
XLogP3.96
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 142679452
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 36921264
[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
CID 46893513
2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate
CID 141273478
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
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
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine
CID 142679665
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 55525968
N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylethanamine
CID 142679597
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-N-(4-phenylmethoxyphenyl)aniline
CID 118954533
3-ethyl-1-methyl-1-(2-phenoxyethyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111274509

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine (CID 142679984) is N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine is CN(CCN1CCN(c2ncccn2)CC1)Cc1cc(-c2ccc(OCc3ccccc3)cc2)no1.
What is the InChIKey of N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is WBINDSXMIQHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-32(14-15-33-16-18-34(19-17-33)28-29-12-5-13-30-28)21-26-20-27(31-36-26)24-8-10-25(11-9-24)35-22-23-6-3-2-4-7-23/h2-13,20H,14-19,21-22H2,1H3.
What are the key properties of N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 484.60 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 142679984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).