(5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one

C18H18FNO3 — CID 58045489

IUPAC(5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1CN(c2ccc(-c3ccc(CO)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H18FNO3/c1-2-15-10-20(18(22)23-15)14-7-8-16(17(19)9-14)13-5-3-12(11-21)4-6-13/h3-9,15,21H,2,10-11H2,1H3/t15-/m0/s1
InChIKeyCCZLOMHBLMKNSP-HNNXBMFYSA-N
MW315.34 g/mol
LogP3.72
Rot. Bonds4

About (5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one

(5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 58045489) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID58045489
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1CN(c2ccc(-c3ccc(CO)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H18FNO3/c1-2-15-10-20(18(22)23-15)14-7-8-16(17(19)9-14)13-5-3-12(11-21)4-6-13/h3-9,15,21H,2,10-11H2,1H3/t15-/m0/s1
InChIKeyCCZLOMHBLMKNSP-HNNXBMFYSA-N
XLogP3.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one (CID 58045489) is (5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one is CC[C@H]1CN(c2ccc(-c3ccc(CO)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CCZLOMHBLMKNSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-2-15-10-20(18(22)23-15)14-7-8-16(17(19)9-14)13-5-3-12(11-21)4-6-13/h3-9,15,21H,2,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 315.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58045489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).