3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one

C28H32FN7O2 — CID 67720293

IUPAC3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)C(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C28H32FN7O2/c29-22-6-4-20(5-7-22)27(34-12-10-30-11-13-34)26(36-14-15-38-28(36)37)3-1-2-21-17-31-25-9-8-23(16-24(21)25)35-18-32-33-19-35/h4-9,16-19,26-27,30-31H,1-3,10-15H2
InChIKeyVJYLVJWEHIYJTM-UHFFFAOYSA-N
MW517.61 g/mol
LogP3.68
Rot. Bonds9

About 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one

3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 67720293) has the molecular formula C28H32FN7O2 and a molecular weight of 517.61 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one
PubChem CID67720293
Molecular FormulaC28H32FN7O2
Molecular Weight517.61 g/mol
Exact Mass517.26
IUPAC Name3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)C(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C28H32FN7O2/c29-22-6-4-20(5-7-22)27(34-12-10-30-11-13-34)26(36-14-15-38-28(36)37)3-1-2-21-17-31-25-9-8-23(16-24(21)25)35-18-32-33-19-35/h4-9,16-19,26-27,30-31H,1-3,10-15H2
InChIKeyVJYLVJWEHIYJTM-UHFFFAOYSA-N
XLogP3.68
TPSA91.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[3-[4-[1-(4-fluorophenyl)-2-methoxyethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57037506
3-[3-[1-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67594740
3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67594756
1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 18975339
4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
CID 19426661
3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57263001
2-(4-fluorophenyl)-2-[[1-[2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethanol
CID 10743348
3-phenyl-3-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]propan-1-ol
CID 67594131
3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67577259
2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine
CID 67593643
3-[3-[4-fluoro-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10647181
3-[3-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 18794724

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one (CID 67720293) is 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)C(c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is VJYLVJWEHIYJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7O2/c29-22-6-4-20(5-7-22)27(34-12-10-30-11-13-34)26(36-14-15-38-28(36)37)3-1-2-21-17-31-25-9-8-23(16-24(21)25)35-18-32-33-19-35/h4-9,16-19,26-27,30-31H,1-3,10-15H2.
What are the key properties of 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one?
3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 517.61 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67720293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).