(3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one

C16H18N2O3 — CID 37080640

IUPAC(3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one
SMILESO=C1OCC[C@@H]1N1CCC[C@@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C16H18N2O3/c19-16-13(7-9-20-16)18-8-3-4-11(10-18)15-17-12-5-1-2-6-14(12)21-15/h1-2,5-6,11,13H,3-4,7-10H2/t11-,13+/m1/s1
InChIKeyXNCCEZDVLXBSEU-YPMHNXCESA-N
MW286.33 g/mol
LogP2.32
Rot. Bonds2

About (3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one

(3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one (PubChem CID 37080640) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one
PubChem CID37080640
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one
SMILESO=C1OCC[C@@H]1N1CCC[C@@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C16H18N2O3/c19-16-13(7-9-20-16)18-8-3-4-11(10-18)15-17-12-5-1-2-6-14(12)21-15/h1-2,5-6,11,13H,3-4,7-10H2/t11-,13+/m1/s1
InChIKeyXNCCEZDVLXBSEU-YPMHNXCESA-N
XLogP2.32
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one
CID 37080644
(3S,4R)-4-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,1-dioxothiolan-3-ol
CID 98788058
2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole
CID 131902815
4-[2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 37079341
2-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 47060523
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 87016586
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 38314468
1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
CID 126808828
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 118792880
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide
CID 94110566

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one?
The IUPAC name of (3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one (CID 37080640) is (3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one?
The canonical SMILES for (3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one is O=C1OCC[C@@H]1N1CCC[C@@H](c2nc3ccccc3o2)C1.
What is the InChIKey of (3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one?
The InChIKey is XNCCEZDVLXBSEU-YPMHNXCESA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16-13(7-9-20-16)18-8-3-4-11(10-18)15-17-12-5-1-2-6-14(12)21-15/h1-2,5-6,11,13H,3-4,7-10H2/t11-,13+/m1/s1.
What are the key properties of (3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one?
(3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one has a molecular weight of 286.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 37080640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).