1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone

C17H27N3O4 — CID 56775500

IUPAC1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2(Cc3cc(C(C)(C)O)on3)COC2)CC1
InChIInChI=1S/C17H27N3O4/c1-12(21)20-6-4-13(5-7-20)18-17(10-23-11-17)9-14-8-15(24-19-14)16(2,3)22/h8,13,18,22H,4-7,9-11H2,1-3H3
InChIKeyKHOBLWRCYZLMFX-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.81
Rot. Bonds5

About 1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone

1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone (PubChem CID 56775500) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
PubChem CID56775500
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2(Cc3cc(C(C)(C)O)on3)COC2)CC1
InChIInChI=1S/C17H27N3O4/c1-12(21)20-6-4-13(5-7-20)18-17(10-23-11-17)9-14-8-15(24-19-14)16(2,3)22/h8,13,18,22H,4-7,9-11H2,1-3H3
InChIKeyKHOBLWRCYZLMFX-UHFFFAOYSA-N
XLogP0.81
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone (CID 56775500) is 1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2(Cc3cc(C(C)(C)O)on3)COC2)CC1.
What is the InChIKey of 1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is KHOBLWRCYZLMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-12(21)20-6-4-13(5-7-20)18-17(10-23-11-17)9-14-8-15(24-19-14)16(2,3)22/h8,13,18,22H,4-7,9-11H2,1-3H3.
What are the key properties of 1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 56775500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).