(2E)-2-benzylidene-1,3-oxazolidin-5-one

C10H9NO2 — CID 70400530

IUPAC(2E)-2-benzylidene-1,3-oxazolidin-5-one
SMILESO=C1CN/C(=C\c2ccccc2)O1
InChIInChI=1S/C10H9NO2/c12-10-7-11-9(13-10)6-8-4-2-1-3-5-8/h1-6,11H,7H2/b9-6+
InChIKeyAYWGZQVYDIZOIV-RMKNXTFCSA-N
MW175.19 g/mol
LogP1.13
Rot. Bonds1

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

(2E)-2-benzylidene-1,3-oxazolidin-5-one (PubChem CID 70400530) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (2E)-2-benzylidene-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(2E)-2-benzylidene-1,3-oxazolidin-5-one
PubChem CID70400530
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(2E)-2-benzylidene-1,3-oxazolidin-5-one
SMILESO=C1CN/C(=C\c2ccccc2)O1
InChIInChI=1S/C10H9NO2/c12-10-7-11-9(13-10)6-8-4-2-1-3-5-8/h1-6,11H,7H2/b9-6+
InChIKeyAYWGZQVYDIZOIV-RMKNXTFCSA-N
XLogP1.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2E)-2-benzylidene-1,3-oxazolidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6Z)-6-benzylideneoxan-2-one
CID 101488172
(2E)-2-benzylidene-1,3-oxazolidine
CID 102070685
5-benzylidene-1-hydroxyimidazolidin-2-one
CID 69304075
4-benzylidene-3-chloropyrrolidin-2-one
CID 70564036
(3E)-3-benzylidenethiolane-2,5-dione
CID 46914138
(6E)-6-benzylidene-3-methyloxan-2-one
CID 139265388
(1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one
CID 139239294
4-benzylidenepyrazolidine-3,5-dione
CID 68539282
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
(4Z)-4-benzylidene-6-phenylpyran-2-one
CID 134105973
(2E)-2-benzylidenepiperidin-4-one
CID 175136219
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-1,3-oxazolidin-5-one?
The IUPAC name of (2E)-2-benzylidene-1,3-oxazolidin-5-one (CID 70400530) is (2E)-2-benzylidene-1,3-oxazolidin-5-one.
What is the SMILES notation for (2E)-2-benzylidene-1,3-oxazolidin-5-one?
The canonical SMILES for (2E)-2-benzylidene-1,3-oxazolidin-5-one is O=C1CN/C(=C\c2ccccc2)O1.
What is the InChIKey of (2E)-2-benzylidene-1,3-oxazolidin-5-one?
The InChIKey is AYWGZQVYDIZOIV-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-7-11-9(13-10)6-8-4-2-1-3-5-8/h1-6,11H,7H2/b9-6+.
What are the key properties of (2E)-2-benzylidene-1,3-oxazolidin-5-one?
(2E)-2-benzylidene-1,3-oxazolidin-5-one has a molecular weight of 175.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-1,3-oxazolidin-5-one is sourced from PubChem (CID 70400530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).