2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid

C12H13NO4 — CID 82372064

IUPAC2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C12H13NO4/c14-11(15)7-13-10(8-17-12(13)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)
InChIKeyQICUKLLJCIMAPW-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.13
Rot. Bonds4

About 2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid

2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid (PubChem CID 82372064) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
PubChem CID82372064
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C12H13NO4/c14-11(15)7-13-10(8-17-12(13)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)
InChIKeyQICUKLLJCIMAPW-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
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
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-4-benzyl-3-prop-2-ynoyl-1,3-oxazolidin-2-one
CID 135041190
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
(4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70306539
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10421971
4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
CID 6383358

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid?
The IUPAC name of 2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid (CID 82372064) is 2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid is O=C(O)CN1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid?
The InChIKey is QICUKLLJCIMAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11(15)7-13-10(8-17-12(13)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15).
What are the key properties of 2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid?
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid has a molecular weight of 235.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid is sourced from PubChem (CID 82372064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).