4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione

C10H7Cl2NO3 — CID 137332938

IUPAC4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(Cc2cccc(Cl)c2Cl)C(=O)O1
InChIInChI=1S/C10H7Cl2NO3/c11-6-3-1-2-5(8(6)12)4-7-9(14)16-10(15)13-7/h1-3,7H,4H2,(H,13,15)
InChIKeyUELXXCHQGMLPQO-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.17
Rot. Bonds2

About 4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione

4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione (PubChem CID 137332938) has the molecular formula C10H7Cl2NO3 and a molecular weight of 260.08 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione
PubChem CID137332938
Molecular FormulaC10H7Cl2NO3
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Name4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(Cc2cccc(Cl)c2Cl)C(=O)O1
InChIInChI=1S/C10H7Cl2NO3/c11-6-3-1-2-5(8(6)12)4-7-9(14)16-10(15)13-7/h1-3,7H,4H2,(H,13,15)
InChIKeyUELXXCHQGMLPQO-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.17
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

lithium;4-benzyl-1,3-oxazolidine-2,5-dione;hydride
CID 174305172
(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 138393631
2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole
CID 71772683
2-[(2,3-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 107307030
2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane
CID 151472079
(2,3-dichlorophenyl)methylazanium
CID 6951258
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
3-[(2,3-dichlorophenyl)methyl]morpholine
CID 82294990
3-[(2,3-dichlorophenyl)methyl]cyclopentan-1-ol
CID 107310340
1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene
CID 107309484
5-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 67491988

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione (CID 137332938) is 4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione is O=C1NC(Cc2cccc(Cl)c2Cl)C(=O)O1.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is UELXXCHQGMLPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO3/c11-6-3-1-2-5(8(6)12)4-7-9(14)16-10(15)13-7/h1-3,7H,4H2,(H,13,15).
What are the key properties of 4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 260.08 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 137332938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).