4-phenyl-1,3-oxazolidine-2,5-dione

C9H7NO3 — CID 14829411

IUPAC4-phenyl-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(c2ccccc2)C(=O)O1
InChIInChI=1S/C9H7NO3/c11-8-7(10-9(12)13-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,12)
InChIKeyZSEHBLBYCASPDO-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.99
Rot. Bonds1

About 4-phenyl-1,3-oxazolidine-2,5-dione

4-phenyl-1,3-oxazolidine-2,5-dione (PubChem CID 14829411) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-phenyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-phenyl-1,3-oxazolidine-2,5-dione
PubChem CID14829411
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name4-phenyl-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(c2ccccc2)C(=O)O1
InChIInChI=1S/C9H7NO3/c11-8-7(10-9(12)13-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,12)
InChIKeyZSEHBLBYCASPDO-UHFFFAOYSA-N
XLogP0.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
N-Acetyl-DL-phenylglycine
CID 85935
(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid
CID 2755953
(2S)-2-(((tert-butoxy)carbonyl)amino)-2-phenylacetic acid
CID 11010409
2-(Methylamino)-2-phenylacetic acid
CID 228214
(+)-N-Methyl-L-phenylglycine
CID 681675
Phenyl-pyrrolidin-1-yl-acetic acid
CID 646078
2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid
CID 571805
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
(S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 2733820
(R)-(-)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 6950851
(4S)-4-Benzyl-1,3-oxazolidine-2,5-dione
CID 13517184

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-phenyl-1,3-oxazolidine-2,5-dione (CID 14829411) is 4-phenyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-phenyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-phenyl-1,3-oxazolidine-2,5-dione is O=C1NC(c2ccccc2)C(=O)O1.
What is the InChIKey of 4-phenyl-1,3-oxazolidine-2,5-dione?
The InChIKey is ZSEHBLBYCASPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-8-7(10-9(12)13-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,12).
What are the key properties of 4-phenyl-1,3-oxazolidine-2,5-dione?
4-phenyl-1,3-oxazolidine-2,5-dione has a molecular weight of 177.16 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 14829411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).