3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione

C14H16N2O4 — CID 156860734

IUPAC3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESCCc1cccc2c1OC(O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-2-8-4-3-5-9-12(8)20-14(19)16(9)10-6-7-11(17)15-13(10)18/h3-5,10,14,19H,2,6-7H2,1H3,(H,15,17,18)
InChIKeyXYZIHUKOTLCWTB-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.53
Rot. Bonds2

About 3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione

3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione (PubChem CID 156860734) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
PubChem CID156860734
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESCCc1cccc2c1OC(O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-2-8-4-3-5-9-12(8)20-14(19)16(9)10-6-7-11(17)15-13(10)18/h3-5,10,14,19H,2,6-7H2,1H3,(H,15,17,18)
InChIKeyXYZIHUKOTLCWTB-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 166994674
3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 156533490
3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione
CID 144735375
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
CID 123615566
3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione
CID 178063132
3-[7-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 171781790
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 146492012
3-(6-ethyl-7-fluoro-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 176558678

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione (CID 156860734) is 3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione is CCc1cccc2c1OC(O)N2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The InChIKey is XYZIHUKOTLCWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-8-4-3-5-9-12(8)20-14(19)16(9)10-6-7-11(17)15-13(10)18/h3-5,10,14,19H,2,6-7H2,1H3,(H,15,17,18).
What are the key properties of 3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione has a molecular weight of 276.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 156860734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).