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

C15H14N2O3 — CID 11288693

IUPAC(4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1/N=C/c1ccco1
InChIInChI=1S/C15H14N2O3/c18-15-17(16-10-14-7-4-8-19-14)13(11-20-15)9-12-5-2-1-3-6-12/h1-8,10,13H,9,11H2/b16-10+/t13-/m0/s1
InChIKeyZVVYCJWLJHLTCT-RKPNYOAGSA-N
MW270.29 g/mol
LogP2.68
Rot. Bonds4

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

(4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one (PubChem CID 11288693) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one
PubChem CID11288693
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1/N=C/c1ccco1
InChIInChI=1S/C15H14N2O3/c18-15-17(16-10-14-7-4-8-19-14)13(11-20-15)9-12-5-2-1-3-6-12/h1-8,10,13H,9,11H2/b16-10+/t13-/m0/s1
InChIKeyZVVYCJWLJHLTCT-RKPNYOAGSA-N
XLogP2.68
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one (CID 11288693) is (4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1/N=C/c1ccco1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is ZVVYCJWLJHLTCT-RKPNYOAGSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15-17(16-10-14-7-4-8-19-14)13(11-20-15)9-12-5-2-1-3-6-12/h1-8,10,13H,9,11H2/b16-10+/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 270.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11288693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).