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

C10H7Cl2NO3 — CID 137332959

IUPAC4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(Cc2cc(Cl)ccc2Cl)C(=O)O1
InChIInChI=1S/C10H7Cl2NO3/c11-6-1-2-7(12)5(3-6)4-8-9(14)16-10(15)13-8/h1-3,8H,4H2,(H,13,15)
InChIKeyNZWWUYNIHKXRLY-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.17
Rot. Bonds2

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

4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione (PubChem CID 137332959) has the molecular formula C10H7Cl2NO3 and a molecular weight of 260.08 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione
PubChem CID137332959
Molecular FormulaC10H7Cl2NO3
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Name4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(Cc2cc(Cl)ccc2Cl)C(=O)O1
InChIInChI=1S/C10H7Cl2NO3/c11-6-1-2-7(12)5(3-6)4-8-9(14)16-10(15)13-8/h1-3,8H,4H2,(H,13,15)
InChIKeyNZWWUYNIHKXRLY-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

4-[(2,3-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 137332938
4-[(2,5-dichlorophenyl)methyl]cyclohexan-1-one
CID 83261963
2-[(2,5-dichlorophenyl)methyl]-4,4-dimethylpyrrolidin-3-one
CID 155671565
(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 138393631
2-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-one
CID 65316741
2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one
CID 65316693
4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine
CID 141012571
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
2-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 65316836
1,4-dichloro-2-(fluoromethyl)benzene
CID 175609206
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione (CID 137332959) is 4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione is O=C1NC(Cc2cc(Cl)ccc2Cl)C(=O)O1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is NZWWUYNIHKXRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO3/c11-6-1-2-7(12)5(3-6)4-8-9(14)16-10(15)13-8/h1-3,8H,4H2,(H,13,15).
What are the key properties of 4-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione?
4-[(2,5-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-[(2,5-dichlorophenyl)methyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 137332959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).