[3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

C19H29N3O3 — CID 56775829

IUPAC[3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(CC2(NC3CCCCC3)COC2)no1)N1CCCCC1
InChIInChI=1S/C19H29N3O3/c23-18(22-9-5-2-6-10-22)17-11-16(21-25-17)12-19(13-24-14-19)20-15-7-3-1-4-8-15/h11,15,20H,1-10,12-14H2
InChIKeyGUTKJAABOOLLEN-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.53
Rot. Bonds5

About [3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

[3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 56775829) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
PubChem CID56775829
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(CC2(NC3CCCCC3)COC2)no1)N1CCCCC1
InChIInChI=1S/C19H29N3O3/c23-18(22-9-5-2-6-10-22)17-11-16(21-25-17)12-19(13-24-14-19)20-15-7-3-1-4-8-15/h11,15,20H,1-10,12-14H2
InChIKeyGUTKJAABOOLLEN-UHFFFAOYSA-N
XLogP2.53
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (CID 56775829) is [3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is O=C(c1cc(CC2(NC3CCCCC3)COC2)no1)N1CCCCC1.
What is the InChIKey of [3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is GUTKJAABOOLLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-18(22-9-5-2-6-10-22)17-11-16(21-25-17)12-19(13-24-14-19)20-15-7-3-1-4-8-15/h11,15,20H,1-10,12-14H2.
What are the key properties of [3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
[3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(cyclohexylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56775829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).