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

C18H15FN2O2 — CID 102038660

IUPAC(4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](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/t15-/m0/s1
InChIKeyLYRICCHEABMYJN-HNNXBMFYSA-N
MW310.33 g/mol
LogP3.87
Rot. Bonds3

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

(4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 102038660) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
PubChem CID102038660
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name(4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](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/t15-/m0/s1
InChIKeyLYRICCHEABMYJN-HNNXBMFYSA-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-(1H-indol-2-yl)-1,3-oxazolidin-2-one
CID 135053461
methyl 2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1H-indole-6-carboxylate
CID 102038664
(4R)-4-benzyl-3-[2-(4-fluorophenyl)ethynyl]-1,3-oxazolidin-2-one
CID 134841751
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one
CID 166518455
(4S)-4-benzyl-3-(4-isocyanophenyl)-1,3-oxazolidin-2-one
CID 140783510
4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 22228455
(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
CID 10774601
(4S)-4-benzyl-3-[(E)-4,4,4-trifluoro-3-(4-fluorophenyl)but-2-enoyl]-1,3-oxazolidin-2-one
CID 68726541
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one (CID 102038660) is (4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of (4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is LYRICCHEABMYJN-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
(4S)-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 (4S)-4-benzyl-3-(6-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102038660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).