(4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one

C12H14N2O2 — CID 12064994

IUPAC(4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one
SMILESC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-2-13-14-11(9-16-12(14)15)8-10-6-4-3-5-7-10/h2-7,11H,8-9H2,1H3/b13-2+/t11-/m0/s1
InChIKeyYFHYNYMFNDEXKN-SFVNUVMBSA-N
MW218.26 g/mol
LogP2.06
Rot. Bonds3

About (4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one (PubChem CID 12064994) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one
PubChem CID12064994
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one
SMILESC/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-2-13-14-11(9-16-12(14)15)8-10-6-4-3-5-7-10/h2-7,11H,8-9H2,1H3/b13-2+/t11-/m0/s1
InChIKeyYFHYNYMFNDEXKN-SFVNUVMBSA-N
XLogP2.06
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester
CID 3079077
4-Benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one
CID 11992672
(4R)-4-(Phenylmethyl)-3-(1,2-propadien-1-yl)-2-oxazolidinone
CID 10976840
Qrdztuokogfhmc-uhfffaoysa-
CID 21594478
(R)-3-Acetyl-4-benzyloxazolidin-2-one
CID 735930
lithium (R)-4-benzyl-2-oxooxazolidin-3-ide
CID 10899312
lithium (4S)-4-benzyl-1,3-oxazolidin-3-id-2-one
CID 10899313
(4R)-3-amino-4-benzyl-1,3-oxazolidin-2-one
CID 11229292
(4S)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 12078513
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4R)-4-benzyl-3-prop-1-ynyl-1,3-oxazolidin-2-one
CID 134922766

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one (CID 12064994) is (4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one is C/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is YFHYNYMFNDEXKN-SFVNUVMBSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-13-14-11(9-16-12(14)15)8-10-6-4-3-5-7-10/h2-7,11H,8-9H2,1H3/b13-2+/t11-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 218.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E)-ethylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 12064994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).