3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole

C23H26ClN3O2 — CID 10112327

IUPAC3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole
SMILESCN1CCN(CCCOc2ccc(-c3cc(-c4ccc(Cl)cc4)no3)cc2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-26-12-14-27(15-13-26)11-2-16-28-21-9-5-19(6-10-21)23-17-22(25-29-23)18-3-7-20(24)8-4-18/h3-10,17H,2,11-16H2,1H3
InChIKeyWRLPTHURJDGIBU-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.68
Rot. Bonds7

About 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole

3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole (PubChem CID 10112327) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole
PubChem CID10112327
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole
SMILESCN1CCN(CCCOc2ccc(-c3cc(-c4ccc(Cl)cc4)no3)cc2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-26-12-14-27(15-13-26)11-2-16-28-21-9-5-19(6-10-21)23-17-22(25-29-23)18-3-7-20(24)8-4-18/h3-10,17H,2,11-16H2,1H3
InChIKeyWRLPTHURJDGIBU-UHFFFAOYSA-N
XLogP4.68
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole
CID 10158569
3-(4-methylphenyl)-5-(4-pentoxyphenyl)-1,2-oxazole
CID 122432767
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine
CID 122376206
4-[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]benzonitrile
CID 71367381
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole (CID 10112327) is 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole is CN1CCN(CCCOc2ccc(-c3cc(-c4ccc(Cl)cc4)no3)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole?
The InChIKey is WRLPTHURJDGIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-26-12-14-27(15-13-26)11-2-16-28-21-9-5-19(6-10-21)23-17-22(25-29-23)18-3-7-20(24)8-4-18/h3-10,17H,2,11-16H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole?
3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole has a molecular weight of 411.93 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole is sourced from PubChem (CID 10112327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).