(4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one

C26H24FNO3 — CID 10526012

IUPAC(4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCCc1ccc(-c2ccc(F)cc2)cc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H24FNO3/c27-23-15-13-22(14-16-23)21-11-9-19(10-12-21)7-4-8-25(29)28-24(18-31-26(28)30)17-20-5-2-1-3-6-20/h1-3,5-6,9-16,24H,4,7-8,17-18H2/t24-/m0/s1
InChIKeyBOXIWAMQHYAVMD-DEOSSOPVSA-N
MW417.48 g/mol
LogP5.41
Rot. Bonds7

About (4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 10526012) has the molecular formula C26H24FNO3 and a molecular weight of 417.48 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID10526012
Molecular FormulaC26H24FNO3
Molecular Weight417.48 g/mol
Exact Mass417.17
IUPAC Name(4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCCc1ccc(-c2ccc(F)cc2)cc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H24FNO3/c27-23-15-13-22(14-16-23)21-11-9-19(10-12-21)7-4-8-25(29)28-24(18-31-26(28)30)17-20-5-2-1-3-6-20/h1-3,5-6,9-16,24H,4,7-8,17-18H2/t24-/m0/s1
InChIKeyBOXIWAMQHYAVMD-DEOSSOPVSA-N
XLogP5.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
3-[6-(6-Fluoronaphthalen-2-yl)hexanoyl]-1,3-oxazolidin-2-one
CID 132155638
R62Tjm8EK3
CID 10915654
(R)-4-benzyl-3-((S)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enoyl)oxazolidin-2-one
CID 10960394
(4R)-4-benzyl-3-[(2S,3R)-2-benzyl-3-fluoropent-4-enoyl]-1,3-oxazolidin-2-one
CID 11566827
(S)-3-((2S,3R)-2-azido-3-(3,5-difluorophenyl)-4,4,4-trifluorobutanoyl)-4-benzyloxazolidin-2-one
CID 25205013
(4S)-4-benzyl-3-[(3S)-3-(3,5-difluorophenyl)-4,4,4-trifluorobutanoyl]-1,3-oxazolidin-2-one
CID 42646468
(S,Z)-3-(5-(4-fluorophenyl)pent-4-enoyl)-4-phenyloxazolidin-2-one
CID 49840895
(4R)-4-benzyl-3-[(1S,2R,3R,6R)-3-fluoro-6-methyl-4-methylidene-2-phenylcyclohexanecarbonyl]-1,3-oxazolidin-2-one
CID 57801774

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one (CID 10526012) is (4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one is O=C(CCCc1ccc(-c2ccc(F)cc2)cc1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is BOXIWAMQHYAVMD-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24FNO3/c27-23-15-13-22(14-16-23)21-11-9-19(10-12-21)7-4-8-25(29)28-24(18-31-26(28)30)17-20-5-2-1-3-6-20/h1-3,5-6,9-16,24H,4,7-8,17-18H2/t24-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 417.48 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10526012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).