5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride

C22H29Cl2N3O3 — CID 19811498

IUPAC5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1OC(CCCN2CCN(c3ccccc3O)CC2)CN1c1ccccc1
InChIInChI=1S/C22H27N3O3.2ClH/c26-21-11-5-4-10-20(21)24-15-13-23(14-16-24)12-6-9-19-17-25(22(27)28-19)18-7-2-1-3-8-18;;/h1-5,7-8,10-11,19,26H,6,9,12-17H2;2*1H
InChIKeyFRZXIAHEJGSQFR-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.16
Rot. Bonds6

About 5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride

5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride (PubChem CID 19811498) has the molecular formula C22H29Cl2N3O3 and a molecular weight of 454.40 g/mol. Its IUPAC name is 5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride
PubChem CID19811498
Molecular FormulaC22H29Cl2N3O3
Molecular Weight454.40 g/mol
Exact Mass453.16
IUPAC Name5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1OC(CCCN2CCN(c3ccccc3O)CC2)CN1c1ccccc1
InChIInChI=1S/C22H27N3O3.2ClH/c26-21-11-5-4-10-20(21)24-15-13-23(14-16-24)12-6-9-19-17-25(22(27)28-19)18-7-2-1-3-8-18;;/h1-5,7-8,10-11,19,26H,6,9,12-17H2;2*1H
InChIKeyFRZXIAHEJGSQFR-UHFFFAOYSA-N
XLogP4.16
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
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-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride
CID 19811459
3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one
CID 19811488
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-oxazolidin-2-one;dihydrochloride
CID 19811467
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one
CID 19420859
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 14698756
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
tert-butyl 4-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxylate
CID 99646556

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride?
The IUPAC name of 5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride (CID 19811498) is 5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride.
What is the SMILES notation for 5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride?
The canonical SMILES for 5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride is Cl.Cl.O=C1OC(CCCN2CCN(c3ccccc3O)CC2)CN1c1ccccc1.
What is the InChIKey of 5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride?
The InChIKey is FRZXIAHEJGSQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.2ClH/c26-21-11-5-4-10-20(21)24-15-13-23(14-16-24)12-6-9-19-17-25(22(27)28-19)18-7-2-1-3-8-18;;/h1-5,7-8,10-11,19,26H,6,9,12-17H2;2*1H.
What are the key properties of 5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride?
5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride has a molecular weight of 454.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride is sourced from PubChem (CID 19811498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).