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

C25H25ClN4O2 — CID 22115704

IUPAC2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole
SMILESCC(Oc1ccc2cccc(N3CCN(C)CC3)c2c1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C25H25ClN4O2/c1-17(24-27-28-25(32-24)19-6-9-20(26)10-7-19)31-21-11-8-18-4-3-5-23(22(18)16-21)30-14-12-29(2)13-15-30/h3-11,16-17H,12-15H2,1-2H3
InChIKeyGKZARQPKJQWTBZ-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.43
Rot. Bonds5

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

2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole (PubChem CID 22115704) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole
PubChem CID22115704
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole
SMILESCC(Oc1ccc2cccc(N3CCN(C)CC3)c2c1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C25H25ClN4O2/c1-17(24-27-28-25(32-24)19-6-9-20(26)10-7-19)31-21-11-8-18-4-3-5-23(22(18)16-21)30-14-12-29(2)13-15-30/h3-11,16-17H,12-15H2,1-2H3
InChIKeyGKZARQPKJQWTBZ-UHFFFAOYSA-N
XLogP5.43
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine
CID 22115744
2-(4-fluorophenyl)-5-(1-naphthalen-2-yloxyethyl)-1,3,4-oxadiazole
CID 43913145
2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 15090951
1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine
CID 174363405
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 8578381
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-chlorophenoxy)acetate
CID 9229442
2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate
CID 67626676
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-[(3-chlorophenyl)methylsulfanyl]acetate
CID 43032940
3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole
CID 57197265
1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine
CID 174316421
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole (CID 22115704) is 2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole is CC(Oc1ccc2cccc(N3CCN(C)CC3)c2c1)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole?
The InChIKey is GKZARQPKJQWTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-17(24-27-28-25(32-24)19-6-9-20(26)10-7-19)31-21-11-8-18-4-3-5-23(22(18)16-21)30-14-12-29(2)13-15-30/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole has a molecular weight of 448.95 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 22115704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).