(5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

C15H23N3O3 — CID 129489931

IUPAC(5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CCC(=O)NC2)n1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)12-10(6-7-20-12)13-17-14(21-18-13)9-4-5-11(19)16-8-9/h9-10,12H,4-8H2,1-3H3,(H,16,19)/t9-,10-,12-/m0/s1
InChIKeyIMWCHJJRASJBNO-NHCYSSNCSA-N
MW293.37 g/mol
LogP1.98
Rot. Bonds2

About (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

(5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 129489931) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID129489931
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CCC(=O)NC2)n1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)12-10(6-7-20-12)13-17-14(21-18-13)9-4-5-11(19)16-8-9/h9-10,12H,4-8H2,1-3H3,(H,16,19)/t9-,10-,12-/m0/s1
InChIKeyIMWCHJJRASJBNO-NHCYSSNCSA-N
XLogP1.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one with MolForge

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Related Compounds

(5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97147233
2-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 164633776
3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 128883285
3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazole
CID 128884565
3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(1-methoxy-1-phenylethyl)-1,2,4-oxadiazole
CID 164631401
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 156589446
5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 128922331
4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 117058529
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 63345383
3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole
CID 154766157
5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 127318357
2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972028

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 129489931) is (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CCC(=O)NC2)n1.
What is the InChIKey of (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is IMWCHJJRASJBNO-NHCYSSNCSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)12-10(6-7-20-12)13-17-14(21-18-13)9-4-5-11(19)16-8-9/h9-10,12H,4-8H2,1-3H3,(H,16,19)/t9-,10-,12-/m0/s1.
What are the key properties of (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
(5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[(2S,3R)-2-tert-butyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 129489931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).