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

C20H31N3O3 — CID 56775828

IUPAC[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(CC2(NCC3CCCCC3)COC2)no1)N1CCCCC1
InChIInChI=1S/C20H31N3O3/c24-19(23-9-5-2-6-10-23)18-11-17(22-26-18)12-20(14-25-15-20)21-13-16-7-3-1-4-8-16/h11,16,21H,1-10,12-15H2
InChIKeyDREQPSCFTDVVDB-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.78
Rot. Bonds6

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

[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 56775828) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is [3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
PubChem CID56775828
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(CC2(NCC3CCCCC3)COC2)no1)N1CCCCC1
InChIInChI=1S/C20H31N3O3/c24-19(23-9-5-2-6-10-23)18-11-17(22-26-18)12-20(14-25-15-20)21-13-16-7-3-1-4-8-16/h11,16,21H,1-10,12-15H2
InChIKeyDREQPSCFTDVVDB-UHFFFAOYSA-N
XLogP2.78
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (CID 56775828) is [3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is O=C(c1cc(CC2(NCC3CCCCC3)COC2)no1)N1CCCCC1.
What is the InChIKey of [3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is DREQPSCFTDVVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c24-19(23-9-5-2-6-10-23)18-11-17(22-26-18)12-20(14-25-15-20)21-13-16-7-3-1-4-8-16/h11,16,21H,1-10,12-15H2.
What are the key properties of [3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 361.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56775828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).