3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione

C18H20N2O4 — CID 176741724

IUPAC3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione
SMILESO=C1CCC(c2noc3cc(C4CC[C@@H](CO)C4)ccc23)C(=O)N1
InChIInChI=1S/C18H20N2O4/c21-9-10-1-2-11(7-10)12-3-4-13-15(8-12)24-20-17(13)14-5-6-16(22)19-18(14)23/h3-4,8,10-11,14,21H,1-2,5-7,9H2,(H,19,22,23)/t10-,11?,14?/m1/s1
InChIKeyXLHQBZVECHTJRD-CDWSIMAYSA-N
MW328.37 g/mol
LogP2.22
Rot. Bonds3

About 3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione

3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione (PubChem CID 176741724) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione
PubChem CID176741724
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione
SMILESO=C1CCC(c2noc3cc(C4CC[C@@H](CO)C4)ccc23)C(=O)N1
InChIInChI=1S/C18H20N2O4/c21-9-10-1-2-11(7-10)12-3-4-13-15(8-12)24-20-17(13)14-5-6-16(22)19-18(14)23/h3-4,8,10-11,14,21H,1-2,5-7,9H2,(H,19,22,23)/t10-,11?,14?/m1/s1
InChIKeyXLHQBZVECHTJRD-CDWSIMAYSA-N
XLogP2.22
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.22
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-[6-(aminomethyl)-1,2-benzoxazol-3-yl]piperidine-2,6-dione;hydrochloride
CID 170903448
3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten
CID 165014672
(3S)-3-(7-bromobenzo[e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 163969965
3-[5-fluoro-6-(3-oxoazetidin-1-yl)-1,2-benzoxazol-3-yl]piperidine-2,6-dione
CID 170005389
N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide
CID 166649115
1-(2,6-dioxopiperidin-3-yl)benzo[e][1,2]benzoxazole-7-carbaldehyde
CID 166648979
(3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167001494
3-[7-(4,4-dimethylpentanoyl)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 164995141
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 164736995
3-(6-piperazin-1-ylbenzo[e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 167237945
(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione
CID 164736981

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione (CID 176741724) is 3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione is O=C1CCC(c2noc3cc(C4CC[C@@H](CO)C4)ccc23)C(=O)N1.
What is the InChIKey of 3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione?
The InChIKey is XLHQBZVECHTJRD-CDWSIMAYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-9-10-1-2-11(7-10)12-3-4-13-15(8-12)24-20-17(13)14-5-6-16(22)19-18(14)23/h3-4,8,10-11,14,21H,1-2,5-7,9H2,(H,19,22,23)/t10-,11?,14?/m1/s1.
What are the key properties of 3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione?
3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione has a molecular weight of 328.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 176741724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).