3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride

C25H31Cl2F2N3O2 — CID 14208368

IUPAC3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1OCCN1CCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1
InChIInChI=1S/C25H29F2N3O2.2ClH/c26-19-4-2-18(3-5-19)22-17-24(23-16-20(27)6-7-21(22)23)29-12-10-28(11-13-29)8-1-9-30-14-15-32-25(30)31;;/h2-7,16,22,24H,1,8-15,17H2;2*1H
InChIKeyMDXTZDQQOZLMQY-UHFFFAOYSA-N
MW514.44 g/mol
LogP4.84
Rot. Bonds6

About 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride

3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride (PubChem CID 14208368) has the molecular formula C25H31Cl2F2N3O2 and a molecular weight of 514.44 g/mol. Its IUPAC name is 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride
PubChem CID14208368
Molecular FormulaC25H31Cl2F2N3O2
Molecular Weight514.44 g/mol
Exact Mass513.18
IUPAC Name3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1OCCN1CCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1
InChIInChI=1S/C25H29F2N3O2.2ClH/c26-19-4-2-18(3-5-19)22-17-24(23-16-20(27)6-7-21(22)23)29-12-10-28(11-13-29)8-1-9-30-14-15-32-25(30)31;;/h2-7,16,22,24H,1,8-15,17H2;2*1H
InChIKeyMDXTZDQQOZLMQY-UHFFFAOYSA-N
XLogP4.84
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride?
The IUPAC name of 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride (CID 14208368) is 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride.
What is the SMILES notation for 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride?
The canonical SMILES for 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride is Cl.Cl.O=C1OCCN1CCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1.
What is the InChIKey of 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride?
The InChIKey is MDXTZDQQOZLMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O2.2ClH/c26-19-4-2-18(3-5-19)22-17-24(23-16-20(27)6-7-21(22)23)29-12-10-28(11-13-29)8-1-9-30-14-15-32-25(30)31;;/h2-7,16,22,24H,1,8-15,17H2;2*1H.
What are the key properties of 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride?
3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride has a molecular weight of 514.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride is sourced from PubChem (CID 14208368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).