(3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione

C17H12F2N2O4 — CID 166649093

IUPAC(3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2noc3ccc4cc(OC(F)F)ccc4c23)C(=O)N1
InChIInChI=1S/C17H12F2N2O4/c18-17(19)24-9-2-3-10-8(7-9)1-5-12-14(10)15(21-25-12)11-4-6-13(22)20-16(11)23/h1-3,5,7,11,17H,4,6H2,(H,20,22,23)/t11-/m1/s1
InChIKeyGGLMSKVLMJKSRK-LLVKDONJSA-N
MW346.29 g/mol
LogP3.10
Rot. Bonds3

About (3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione

(3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione (PubChem CID 166649093) has the molecular formula C17H12F2N2O4 and a molecular weight of 346.29 g/mol. Its IUPAC name is (3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
PubChem CID166649093
Molecular FormulaC17H12F2N2O4
Molecular Weight346.29 g/mol
Exact Mass346.08
IUPAC Name(3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2noc3ccc4cc(OC(F)F)ccc4c23)C(=O)N1
InChIInChI=1S/C17H12F2N2O4/c18-17(19)24-9-2-3-10-8(7-9)1-5-12-14(10)15(21-25-12)11-4-6-13(22)20-16(11)23/h1-3,5,7,11,17H,4,6H2,(H,20,22,23)/t11-/m1/s1
InChIKeyGGLMSKVLMJKSRK-LLVKDONJSA-N
XLogP3.10
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
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 (3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione (CID 166649093) is (3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione is O=C1CC[C@H](c2noc3ccc4cc(OC(F)F)ccc4c23)C(=O)N1.
What is the InChIKey of (3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione?
The InChIKey is GGLMSKVLMJKSRK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H12F2N2O4/c18-17(19)24-9-2-3-10-8(7-9)1-5-12-14(10)15(21-25-12)11-4-6-13(22)20-16(11)23/h1-3,5,7,11,17H,4,6H2,(H,20,22,23)/t11-/m1/s1.
What are the key properties of (3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione?
(3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione has a molecular weight of 346.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 166649093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).