3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione

C12H10ClNO5 — CID 13093538

IUPAC3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCOc1cccc(Cl)c1C1OC(=O)N(C(C)=O)C1=O
InChIInChI=1S/C12H10ClNO5/c1-6(15)14-11(16)10(19-12(14)17)9-7(13)4-3-5-8(9)18-2/h3-5,10H,1-2H3
InChIKeyJXQJCSWCSRQNMC-UHFFFAOYSA-N
MW283.67 g/mol
LogP1.91
Rot. Bonds2

About 3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione

3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione (PubChem CID 13093538) has the molecular formula C12H10ClNO5 and a molecular weight of 283.67 g/mol. Its IUPAC name is 3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione
PubChem CID13093538
Molecular FormulaC12H10ClNO5
Molecular Weight283.67 g/mol
Exact Mass283.02
IUPAC Name3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCOc1cccc(Cl)c1C1OC(=O)N(C(C)=O)C1=O
InChIInChI=1S/C12H10ClNO5/c1-6(15)14-11(16)10(19-12(14)17)9-7(13)4-3-5-8(9)18-2/h3-5,10H,1-2H3
InChIKeyJXQJCSWCSRQNMC-UHFFFAOYSA-N
XLogP1.91
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione (CID 13093538) is 3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione is COc1cccc(Cl)c1C1OC(=O)N(C(C)=O)C1=O.
What is the InChIKey of 3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is JXQJCSWCSRQNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5/c1-6(15)14-11(16)10(19-12(14)17)9-7(13)4-3-5-8(9)18-2/h3-5,10H,1-2H3.
What are the key properties of 3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione?
3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 283.67 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 13093538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).