4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile

C24H23FN4O2 — CID 18416538

IUPAC4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(N2CC(CN3CCC(c4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1
InChIInChI=1S/C24H23FN4O2/c25-18-3-6-23-21(11-18)22(13-27-23)17-7-9-28(10-8-17)14-20-15-29(24(30)31-20)19-4-1-16(12-26)2-5-19/h1-6,11,13,17,20,27H,7-10,14-15H2
InChIKeyUHYUDTQPHHFRMQ-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.38
Rot. Bonds4

About 4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile

4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile (PubChem CID 18416538) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
PubChem CID18416538
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(N2CC(CN3CCC(c4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1
InChIInChI=1S/C24H23FN4O2/c25-18-3-6-23-21(11-18)22(13-27-23)17-7-9-28(10-8-17)14-20-15-29(24(30)31-20)19-4-1-16(12-26)2-5-19/h1-6,11,13,17,20,27H,7-10,14-15H2
InChIKeyUHYUDTQPHHFRMQ-UHFFFAOYSA-N
XLogP4.38
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile
CID 10134202
5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 15158332
4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile
CID 19439148
tert-butyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 54276577
2-[1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid;2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
CID 162220320
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 155535386
3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile
CID 10109123
N-[[(5S)-3-[3-fluoro-4-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10412121
6-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10023495
ethyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-2-carboxylate
CID 19439162
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile?
The IUPAC name of 4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile (CID 18416538) is 4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile.
What is the SMILES notation for 4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile?
The canonical SMILES for 4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile is N#Cc1ccc(N2CC(CN3CCC(c4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1.
What is the InChIKey of 4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile?
The InChIKey is UHYUDTQPHHFRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-18-3-6-23-21(11-18)22(13-27-23)17-7-9-28(10-8-17)14-20-15-29(24(30)31-20)19-4-1-16(12-26)2-5-19/h1-6,11,13,17,20,27H,7-10,14-15H2.
What are the key properties of 4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile?
4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile has a molecular weight of 418.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile is sourced from PubChem (CID 18416538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).