(5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one

C18H16FNO3 — CID 11758792

IUPAC(5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@@H](C(=O)c2ccc(F)cc2)OC1=O
InChIInChI=1S/C18H16FNO3/c1-12(13-5-3-2-4-6-13)20-11-16(23-18(20)22)17(21)14-7-9-15(19)10-8-14/h2-10,12,16H,11H2,1H3/t12-,16+/m1/s1
InChIKeyPEYHAMJLBZSIPP-WBMJQRKESA-N
MW313.33 g/mol
LogP3.59
Rot. Bonds4

About (5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one

(5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (PubChem CID 11758792) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is (5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
PubChem CID11758792
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name(5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@@H](C(=O)c2ccc(F)cc2)OC1=O
InChIInChI=1S/C18H16FNO3/c1-12(13-5-3-2-4-6-13)20-11-16(23-18(20)22)17(21)14-7-9-15(19)10-8-14/h2-10,12,16H,11H2,1H3/t12-,16+/m1/s1
InChIKeyPEYHAMJLBZSIPP-WBMJQRKESA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (CID 11758792) is (5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one is C[C@H](c1ccccc1)N1C[C@@H](C(=O)c2ccc(F)cc2)OC1=O.
What is the InChIKey of (5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The InChIKey is PEYHAMJLBZSIPP-WBMJQRKESA-N. The full InChI is InChI=1S/C18H16FNO3/c1-12(13-5-3-2-4-6-13)20-11-16(23-18(20)22)17(21)14-7-9-15(19)10-8-14/h2-10,12,16H,11H2,1H3/t12-,16+/m1/s1.
What are the key properties of (5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
(5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one has a molecular weight of 313.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11758792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).