3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole

C25H26N4O3 — CID 22115631

IUPAC3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)n1
InChIInChI=1S/C25H26N4O3/c1-28-12-14-29(15-13-28)22-8-5-6-18-10-11-19(16-21(18)22)31-17-24-26-25(27-32-24)20-7-3-4-9-23(20)30-2/h3-11,16H,12-15,17H2,1-2H3
InChIKeyXKESCXSHSLWDDH-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.23
Rot. Bonds6

About 3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole

3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole (PubChem CID 22115631) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole
PubChem CID22115631
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)n1
InChIInChI=1S/C25H26N4O3/c1-28-12-14-29(15-13-28)22-8-5-6-18-10-11-19(16-21(18)22)31-17-24-26-25(27-32-24)20-7-3-4-9-23(20)30-2/h3-11,16H,12-15,17H2,1-2H3
InChIKeyXKESCXSHSLWDDH-UHFFFAOYSA-N
XLogP4.23
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-fluorophenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole;dihydrochloride
CID 22115574
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid
CID 22115610
5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9353996
5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355907
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137818
1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine
CID 70193466
3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole
CID 57197265
[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117436157
N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 9354144
1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine
CID 67762808
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 9353480

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole (CID 22115631) is 3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole is COc1ccccc1-c1noc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole?
The InChIKey is XKESCXSHSLWDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-28-12-14-29(15-13-28)22-8-5-6-18-10-11-19(16-21(18)22)31-17-24-26-25(27-32-24)20-7-3-4-9-23(20)30-2/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole?
3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole has a molecular weight of 430.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 22115631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).