3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole

C26H27N3O2 — CID 57197265

IUPAC3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole
SMILESCN1CCN(c2cccc3ccc(OCCc4cc(-c5ccccc5)on4)cc23)CC1
InChIInChI=1S/C26H27N3O2/c1-28-13-15-29(16-14-28)25-9-5-8-20-10-11-23(19-24(20)25)30-17-12-22-18-26(31-27-22)21-6-3-2-4-7-21/h2-11,18-19H,12-17H2,1H3
InChIKeyOPZBNMSUMJVGBI-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.87
Rot. Bonds6

About 3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole

3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole (PubChem CID 57197265) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole
PubChem CID57197265
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole
SMILESCN1CCN(c2cccc3ccc(OCCc4cc(-c5ccccc5)on4)cc23)CC1
InChIInChI=1S/C26H27N3O2/c1-28-13-15-29(16-14-28)25-9-5-8-20-10-11-23(19-24(20)25)30-17-12-22-18-26(31-27-22)21-6-3-2-4-7-21/h2-11,18-19H,12-17H2,1H3
InChIKeyOPZBNMSUMJVGBI-UHFFFAOYSA-N
XLogP4.87
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine
CID 22115685
1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine
CID 67762808
3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole
CID 22115631
3-(2-fluorophenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole;dihydrochloride
CID 22115574
1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine
CID 70193466
1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine
CID 174363405
4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid
CID 22115610
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484
1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine
CID 22115744
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 19066195
1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine
CID 174316421
[8-(4-methylpiperazin-1-yl)naphthalen-2-yl] 4-chlorobenzoate
CID 18967509

Frequently Asked Questions

What is the IUPAC name of 3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole (CID 57197265) is 3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole is CN1CCN(c2cccc3ccc(OCCc4cc(-c5ccccc5)on4)cc23)CC1.
What is the InChIKey of 3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole?
The InChIKey is OPZBNMSUMJVGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-28-13-15-29(16-14-28)25-9-5-8-20-10-11-23(19-24(20)25)30-17-12-22-18-26(31-27-22)21-6-3-2-4-7-21/h2-11,18-19H,12-17H2,1H3.
What are the key properties of 3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole?
3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole has a molecular weight of 413.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 57197265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).