(4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one

C19H17F2NO3 — CID 59733915

IUPAC(4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1cc(F)cc(F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H17F2NO3/c20-15-8-14(9-16(21)11-15)6-7-18(23)22-17(12-25-19(22)24)10-13-4-2-1-3-5-13/h1-5,8-9,11,17H,6-7,10,12H2/t17-/m0/s1
InChIKeyOESIEFOMUOUFEB-KRWDZBQOSA-N
MW345.35 g/mol
LogP3.49
Rot. Bonds5

About (4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 59733915) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID59733915
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name(4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1cc(F)cc(F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H17F2NO3/c20-15-8-14(9-16(21)11-15)6-7-18(23)22-17(12-25-19(22)24)10-13-4-2-1-3-5-13/h1-5,8-9,11,17H,6-7,10,12H2/t17-/m0/s1
InChIKeyOESIEFOMUOUFEB-KRWDZBQOSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one (CID 59733915) is (4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one is O=C(CCc1cc(F)cc(F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is OESIEFOMUOUFEB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17F2NO3/c20-15-8-14(9-16(21)11-15)6-7-18(23)22-17(12-25-19(22)24)10-13-4-2-1-3-5-13/h1-5,8-9,11,17H,6-7,10,12H2/t17-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 345.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59733915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).