(5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one

C12H13NO2 — CID 10655764

IUPAC(5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one
SMILESC/C=C1\CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C12H13NO2/c1-2-11-9-13(12(14)15-11)8-10-6-4-3-5-7-10/h2-7H,8-9H2,1H3/b11-2+
InChIKeyUFJQTFSTZHFZCO-BIIKFXOESA-N
MW203.24 g/mol
LogP2.54
Rot. Bonds2

About (5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one

(5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one (PubChem CID 10655764) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one
PubChem CID10655764
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one
SMILESC/C=C1\CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C12H13NO2/c1-2-11-9-13(12(14)15-11)8-10-6-4-3-5-7-10/h2-7H,8-9H2,1H3/b11-2+
InChIKeyUFJQTFSTZHFZCO-BIIKFXOESA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
3-Benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 2793798
3-Benzyloxazolidine
CID 319258
2,4-Oxazolidinedione, 3-benzyl-
CID 230350
1-Benzyl-4-ethoxy-1,5-dihydro-2H-pyrrol-2-one
CID 563187
Fenpipalone
CID 30822
Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
5,5-Dimethyl-3-(phenylmethyl)-2,4-oxazolidinedione
CID 232547
Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)
CID 65515
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-benzyl-
CID 199815
3-Benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 689214

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one?
The IUPAC name of (5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one (CID 10655764) is (5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for (5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one?
The canonical SMILES for (5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one is C/C=C1\CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of (5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one?
The InChIKey is UFJQTFSTZHFZCO-BIIKFXOESA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-11-9-13(12(14)15-11)8-10-6-4-3-5-7-10/h2-7H,8-9H2,1H3/b11-2+.
What are the key properties of (5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one?
(5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 10655764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).