3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione

C14H10N2O3 — CID 154131571

IUPAC3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione
SMILESO=c1oc(=O)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C14H10N2O3/c17-13-15(11-7-3-1-4-8-11)16(14(18)19-13)12-9-5-2-6-10-12/h1-10H
InChIKeyDOLDPXIZJOITDK-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.58
Rot. Bonds2

About 3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione

3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione (PubChem CID 154131571) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione.

Molecular Properties

Compound Name3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione
PubChem CID154131571
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione
SMILESO=c1oc(=O)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C14H10N2O3/c17-13-15(11-7-3-1-4-8-11)16(14(18)19-13)12-9-5-2-6-10-12/h1-10H
InChIKeyDOLDPXIZJOITDK-UHFFFAOYSA-N
XLogP1.58
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1,2-diphenylpyrazol-3-one
CID 802103
2,3-diphenyloxadiaziridine
CID 67418852
1,2,5-triphenylpyrazol-3-one
CID 150178882
4-methyl-3,5-diphenyl-1,3-oxazol-2-one
CID 134935741
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535
2,5-dimethyl-1-phenylpyrazol-3-one
CID 555724
1,2-diphenylpyrazolidine-3,4,5-trione
CID 162788375
4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one
CID 20768022
5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione
CID 13219285
4-iodo-1-methyl-2-phenylpyrazol-3-one
CID 134097114
5-(fluoromethyl)-1,2-diphenylpyrazol-3-one
CID 86211986
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione?
The IUPAC name of 3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione (CID 154131571) is 3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione.
What is the SMILES notation for 3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione?
The canonical SMILES for 3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione is O=c1oc(=O)n(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione?
The InChIKey is DOLDPXIZJOITDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13-15(11-7-3-1-4-8-11)16(14(18)19-13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione?
3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione has a molecular weight of 254.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione is sourced from PubChem (CID 154131571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).