(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid

C26H23F2NO5 — CID 167582466

IUPAC(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
SMILESO=C(Cc1ccccc1F)N1C(=O)OC[C@H]1Cc1ccccc1.O=C(O)Cc1ccccc1F
InChIInChI=1S/C18H16FNO3.C8H7FO2/c19-16-9-5-4-8-14(16)11-17(21)20-15(12-23-18(20)22)10-13-6-2-1-3-7-13;9-7-4-2-1-3-6(7)5-8(10)11/h1-9,15H,10-12H2;1-4H,5H2,(H,10,11)/t15-;/m1./s1
InChIKeyHIXZXACVPIGBDZ-XFULWGLBSA-N
MW467.47 g/mol
LogP4.41
Rot. Bonds6

About (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid

(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid (PubChem CID 167582466) has the molecular formula C26H23F2NO5 and a molecular weight of 467.47 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
PubChem CID167582466
Molecular FormulaC26H23F2NO5
Molecular Weight467.47 g/mol
Exact Mass467.15
IUPAC Name(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
SMILESO=C(Cc1ccccc1F)N1C(=O)OC[C@H]1Cc1ccccc1.O=C(O)Cc1ccccc1F
InChIInChI=1S/C18H16FNO3.C8H7FO2/c19-16-9-5-4-8-14(16)11-17(21)20-15(12-23-18(20)22)10-13-6-2-1-3-7-13;9-7-4-2-1-3-6(7)5-8(10)11/h1-9,15H,10-12H2;1-4H,5H2,(H,10,11)/t15-;/m1./s1
InChIKeyHIXZXACVPIGBDZ-XFULWGLBSA-N
XLogP4.41
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 167686968
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 167505232
(4R)-4-benzyl-3-[2-(4-chloro-3-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59580359
(4S)-4-benzyl-3-[2-[2-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one
CID 16755427
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
(4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59315466
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
CID 15935410

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid?
The IUPAC name of (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid (CID 167582466) is (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid?
The canonical SMILES for (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid is O=C(Cc1ccccc1F)N1C(=O)OC[C@H]1Cc1ccccc1.O=C(O)Cc1ccccc1F.
What is the InChIKey of (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid?
The InChIKey is HIXZXACVPIGBDZ-XFULWGLBSA-N. The full InChI is InChI=1S/C18H16FNO3.C8H7FO2/c19-16-9-5-4-8-14(16)11-17(21)20-15(12-23-18(20)22)10-13-6-2-1-3-7-13;9-7-4-2-1-3-6(7)5-8(10)11/h1-9,15H,10-12H2;1-4H,5H2,(H,10,11)/t15-;/m1./s1.
What are the key properties of (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid?
(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid has a molecular weight of 467.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 167582466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).