5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

C13H8Cl2N2O3 — CID 22271280

IUPAC5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(Cc3ccc(Cl)cc3Cl)ccc2o1
InChIInChI=1S/C13H8Cl2N2O3/c14-8-2-1-7(9(15)5-8)6-17-4-3-10-11(12(17)18)16-13(19)20-10/h1-5H,6H2,(H,16,19)
InChIKeyREEHGJBMJSCWRI-UHFFFAOYSA-N
MW311.12 g/mol
LogP2.64
Rot. Bonds2

About 5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (PubChem CID 22271280) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
PubChem CID22271280
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(Cc3ccc(Cl)cc3Cl)ccc2o1
InChIInChI=1S/C13H8Cl2N2O3/c14-8-2-1-7(9(15)5-8)6-17-4-3-10-11(12(17)18)16-13(19)20-10/h1-5H,6H2,(H,16,19)
InChIKeyREEHGJBMJSCWRI-UHFFFAOYSA-N
XLogP2.64
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (CID 22271280) is 5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is O=c1[nH]c2c(=O)n(Cc3ccc(Cl)cc3Cl)ccc2o1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The InChIKey is REEHGJBMJSCWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-8-2-1-7(9(15)5-8)6-17-4-3-10-11(12(17)18)16-13(19)20-10/h1-5H,6H2,(H,16,19).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione has a molecular weight of 311.12 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is sourced from PubChem (CID 22271280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).