4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one

C18H15FN2O2 — CID 135008602

IUPAC4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H15FN2O2/c19-14-7-6-13-9-17(20-16(13)10-14)21-15(11-23-18(21)22)8-12-4-2-1-3-5-12/h1-7,9-10,15,20H,8,11H2
InChIKeyLYRICCHEABMYJN-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.87
Rot. Bonds3

About 4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one

4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 135008602) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
PubChem CID135008602
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H15FN2O2/c19-14-7-6-13-9-17(20-16(13)10-14)21-15(11-23-18(21)22)8-12-4-2-1-3-5-12/h1-7,9-10,15,20H,8,11H2
InChIKeyLYRICCHEABMYJN-UHFFFAOYSA-N
XLogP3.87
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
CID 74404760
(4S)-3-[1-(4-methylphenyl)indol-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 102522229
Benzyl 1H-indol-2-ylcarbamate
CID 12340619
2-(Morpholin-4-yl)-1H-indole
CID 21220484
2-Butoxycarbonylaminoindole
CID 129788948
Indolylimidazolidinone
CID 150455532
ethyl 2-[[3-[[5-(2-fluorophenyl)-2H-1,4-benzodiazepin-3-yl]methyl]-1H-indol-2-yl]amino]acetate
CID 57026699
Ethyl 2-[[3-(trifluoromethyl)phenyl]methylamino]indole-1-carboxylate
CID 57258268
5-fluoro-2-[4-(oxetan-3-yl)piperazin-1-yl]-1H-indole
CID 176253002
tert-butyl N-benzyl-N-(1H-indol-2-yl)carbamate
CID 102038658
Indolyl-glyoxylyl-benzylamine
CID 129715495
N-methyl-N-indolylurethane
CID 129870545

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one (CID 135008602) is 4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one is O=C1OCC(Cc2ccccc2)N1c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of 4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is LYRICCHEABMYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-14-7-6-13-9-17(20-16(13)10-14)21-15(11-23-18(21)22)8-12-4-2-1-3-5-12/h1-7,9-10,15,20H,8,11H2.
What are the key properties of 4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 310.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 135008602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).