3-[(E)-benzylideneamino]-1,3-oxazol-2-one

C10H8N2O2 — CID 18529193

IUPAC3-[(E)-benzylideneamino]-1,3-oxazol-2-one
SMILESO=c1occn1/N=C/c1ccccc1
InChIInChI=1S/C10H8N2O2/c13-10-12(6-7-14-10)11-8-9-4-2-1-3-5-9/h1-8H/b11-8+
InChIKeyUKCKZBYQZQVCAH-DHZHZOJOSA-N
MW188.19 g/mol
LogP1.32
Rot. Bonds2

About 3-[(E)-benzylideneamino]-1,3-oxazol-2-one

3-[(E)-benzylideneamino]-1,3-oxazol-2-one (PubChem CID 18529193) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-[(E)-benzylideneamino]-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[(E)-benzylideneamino]-1,3-oxazol-2-one
PubChem CID18529193
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-[(E)-benzylideneamino]-1,3-oxazol-2-one
SMILESO=c1occn1/N=C/c1ccccc1
InChIInChI=1S/C10H8N2O2/c13-10-12(6-7-14-10)11-8-9-4-2-1-3-5-9/h1-8H/b11-8+
InChIKeyUKCKZBYQZQVCAH-DHZHZOJOSA-N
XLogP1.32
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.32
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 3-[(E)-benzylideneamino]-1,3-oxazol-2-one?
The IUPAC name of 3-[(E)-benzylideneamino]-1,3-oxazol-2-one (CID 18529193) is 3-[(E)-benzylideneamino]-1,3-oxazol-2-one.
What is the SMILES notation for 3-[(E)-benzylideneamino]-1,3-oxazol-2-one?
The canonical SMILES for 3-[(E)-benzylideneamino]-1,3-oxazol-2-one is O=c1occn1/N=C/c1ccccc1.
What is the InChIKey of 3-[(E)-benzylideneamino]-1,3-oxazol-2-one?
The InChIKey is UKCKZBYQZQVCAH-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10-12(6-7-14-10)11-8-9-4-2-1-3-5-9/h1-8H/b11-8+.
What are the key properties of 3-[(E)-benzylideneamino]-1,3-oxazol-2-one?
3-[(E)-benzylideneamino]-1,3-oxazol-2-one has a molecular weight of 188.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-benzylideneamino]-1,3-oxazol-2-one is sourced from PubChem (CID 18529193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).