3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C24H25FN2O2S — CID 20555922

IUPAC3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc2c(c1)C(=C1CCN(CCN3CCOC3=O)CC1)c1ccc(F)cc1S2
InChIInChI=1S/C24H25FN2O2S/c1-16-2-5-21-20(14-16)23(19-4-3-18(25)15-22(19)30-21)17-6-8-26(9-7-17)10-11-27-12-13-29-24(27)28/h2-5,14-15H,6-13H2,1H3
InChIKeyCRGKLOUWXNMHQV-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.95
Rot. Bonds3

About 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 20555922) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID20555922
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC Name3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc2c(c1)C(=C1CCN(CCN3CCOC3=O)CC1)c1ccc(F)cc1S2
InChIInChI=1S/C24H25FN2O2S/c1-16-2-5-21-20(14-16)23(19-4-3-18(25)15-22(19)30-21)17-6-8-26(9-7-17)10-11-27-12-13-29-24(27)28/h2-5,14-15H,6-13H2,1H3
InChIKeyCRGKLOUWXNMHQV-UHFFFAOYSA-N
XLogP4.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

Analyze 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-Oxazolidinone, 3-(2-(4-(8-fluoro-2-methyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)ethyl)-, (+-)-
CID 3042509
2-[4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-yl]propyl]piperazin-1-yl]ethyl acetate
CID 91748165
4Alc2UL25Z
CID 169490750
(+)-(S)-3-{2-[4-(8-fluoro-10,11-dihydro-2-methyl-dibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-ethyl}-2-oxazolidinone
CID 3042544
(-)-(R)-3-{2-[4-(8-fluoro-10,11-dihydro-2-methyl-dibenzo[b,f]thiepin-10-yl)-1-piperazinyl]ethyl}-2-oxazolidinone
CID 3042546
1-Carbethoxy-4-[8-fluoro-10,11-dihydro-2-methyl-dibenzo[b,f]thiepin-10-yl]-piperazine
CID 20328334
3-[2-[4-(2-Chloro-6-fluorothioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 20555865
2,2,2-Trichloroethyl 4-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]piperidine-1-carboxylate
CID 20555932
3-[2-[4-(10,11-Dihydro-2-trifluoromethyl-dibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-ethyl]-2-oxazolidinone
CID 21481136
3-[2-[4-(3-Fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 21481154
4-[2-[4-[6-Fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]piperidin-1-yl]ethyl]morpholine
CID 70527434
Ethyl 4-thioxanthen-9-ylidenepiperidine-1-carboxylate
CID 10736668

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 20555922) is 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is Cc1ccc2c(c1)C(=C1CCN(CCN3CCOC3=O)CC1)c1ccc(F)cc1S2.
What is the InChIKey of 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is CRGKLOUWXNMHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-16-2-5-21-20(14-16)23(19-4-3-18(25)15-22(19)30-21)17-6-8-26(9-7-17)10-11-27-12-13-29-24(27)28/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 424.54 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 20555922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).