3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione

C12H10ClN3O3 — CID 154810801

IUPAC3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2nc3cc(Cl)ccc3o2)C(=O)N1
InChIInChI=1S/C12H10ClN3O3/c13-6-1-3-9-8(5-6)15-12(19-9)14-7-2-4-10(17)16-11(7)18/h1,3,5,7H,2,4H2,(H,14,15)(H,16,17,18)
InChIKeyYJZYWQLSWYSSNB-UHFFFAOYSA-N
MW279.68 g/mol
LogP1.70
Rot. Bonds2

About 3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione

3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione (PubChem CID 154810801) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione
PubChem CID154810801
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2nc3cc(Cl)ccc3o2)C(=O)N1
InChIInChI=1S/C12H10ClN3O3/c13-6-1-3-9-8(5-6)15-12(19-9)14-7-2-4-10(17)16-11(7)18/h1,3,5,7H,2,4H2,(H,14,15)(H,16,17,18)
InChIKeyYJZYWQLSWYSSNB-UHFFFAOYSA-N
XLogP1.70
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione (CID 154810801) is 3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione is O=C1CCC(Nc2nc3cc(Cl)ccc3o2)C(=O)N1.
What is the InChIKey of 3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione?
The InChIKey is YJZYWQLSWYSSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-6-1-3-9-8(5-6)15-12(19-9)14-7-2-4-10(17)16-11(7)18/h1,3,5,7H,2,4H2,(H,14,15)(H,16,17,18).
What are the key properties of 3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione?
3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione has a molecular weight of 279.68 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 154810801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).