5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one

C25H30ClN3O5 — CID 57192431

IUPAC5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one
SMILESCOc1ccc(CCc2oc(=O)[nH]c2O)cc1OCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H30ClN3O5/c1-32-21-8-6-18(7-9-22-24(30)27-25(31)34-22)16-23(21)33-15-3-10-28-11-13-29(14-12-28)20-5-2-4-19(26)17-20/h2,4-6,8,16-17,30H,3,7,9-15H2,1H3,(H,27,31)
InChIKeyLOIBCGPSJYBRFE-UHFFFAOYSA-N
MW487.98 g/mol
LogP3.71
Rot. Bonds10

About 5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one

5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one (PubChem CID 57192431) has the molecular formula C25H30ClN3O5 and a molecular weight of 487.98 g/mol. Its IUPAC name is 5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one
PubChem CID57192431
Molecular FormulaC25H30ClN3O5
Molecular Weight487.98 g/mol
Exact Mass487.19
IUPAC Name5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one
SMILESCOc1ccc(CCc2oc(=O)[nH]c2O)cc1OCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H30ClN3O5/c1-32-21-8-6-18(7-9-22-24(30)27-25(31)34-22)16-23(21)33-15-3-10-28-11-13-29(14-12-28)20-5-2-4-19(26)17-20/h2,4-6,8,16-17,30H,3,7,9-15H2,1H3,(H,27,31)
InChIKeyLOIBCGPSJYBRFE-UHFFFAOYSA-N
XLogP3.71
TPSA91.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide
CID 24773437
1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
CID 10788071
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
CID 22680945
6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45260924
7-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 14014437
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
1-(3-chlorophenyl)-4-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine
CID 10386085
N-[(4-chlorophenyl)methyl]-3-[3-methoxy-4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]propan-1-amine
CID 71277054
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one?
The IUPAC name of 5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one (CID 57192431) is 5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one is COc1ccc(CCc2oc(=O)[nH]c2O)cc1OCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one?
The InChIKey is LOIBCGPSJYBRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O5/c1-32-21-8-6-18(7-9-22-24(30)27-25(31)34-22)16-23(21)33-15-3-10-28-11-13-29(14-12-28)20-5-2-4-19(26)17-20/h2,4-6,8,16-17,30H,3,7,9-15H2,1H3,(H,27,31).
What are the key properties of 5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one?
5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one has a molecular weight of 487.98 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one is sourced from PubChem (CID 57192431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).