5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride

C24H34ClN3O4 — CID 19811459

IUPAC5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride
SMILESCCOc1ccccc1N1CCN(CCCC2CN(c3ccccc3)C(=O)O2)CC1.Cl.O
InChIInChI=1S/C24H31N3O3.ClH.H2O/c1-2-29-23-13-7-6-12-22(23)26-17-15-25(16-18-26)14-8-11-21-19-27(24(28)30-21)20-9-4-3-5-10-20;;/h3-7,9-10,12-13,21H,2,8,11,14-19H2,1H3;1H;1H2
InChIKeyOBTNACNVAODYRA-UHFFFAOYSA-N
MW464.01 g/mol
LogP3.61
Rot. Bonds8

About 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride

5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride (PubChem CID 19811459) has the molecular formula C24H34ClN3O4 and a molecular weight of 464.01 g/mol. Its IUPAC name is 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride.

Molecular Properties

Compound Name5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride
PubChem CID19811459
Molecular FormulaC24H34ClN3O4
Molecular Weight464.01 g/mol
Exact Mass463.22
IUPAC Name5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride
SMILESCCOc1ccccc1N1CCN(CCCC2CN(c3ccccc3)C(=O)O2)CC1.Cl.O
InChIInChI=1S/C24H31N3O3.ClH.H2O/c1-2-29-23-13-7-6-12-22(23)26-17-15-25(16-18-26)14-8-11-21-19-27(24(28)30-21)20-9-4-3-5-10-20;;/h3-7,9-10,12-13,21H,2,8,11,14-19H2,1H3;1H;1H2
InChIKeyOBTNACNVAODYRA-UHFFFAOYSA-N
XLogP3.61
TPSA76.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one
CID 19811491
5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride
CID 19811498
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-oxazolidin-2-one;dihydrochloride
CID 19811467
3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one
CID 19811488
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one
CID 19420859
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one
CID 57185140
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517
(5R)-3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4,5-dihydro-1,2-oxazole
CID 16744171
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 139598682

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride?
The IUPAC name of 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride (CID 19811459) is 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride.
What is the SMILES notation for 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride?
The canonical SMILES for 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride is CCOc1ccccc1N1CCN(CCCC2CN(c3ccccc3)C(=O)O2)CC1.Cl.O.
What is the InChIKey of 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride?
The InChIKey is OBTNACNVAODYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3.ClH.H2O/c1-2-29-23-13-7-6-12-22(23)26-17-15-25(16-18-26)14-8-11-21-19-27(24(28)30-21)20-9-4-3-5-10-20;;/h3-7,9-10,12-13,21H,2,8,11,14-19H2,1H3;1H;1H2.
What are the key properties of 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride?
5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride has a molecular weight of 464.01 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride is sourced from PubChem (CID 19811459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).