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

C17H28N4O3 — CID 56775426

IUPAC1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2(Cc3cc(CN(C)C)on3)COC2)CC1
InChIInChI=1S/C17H28N4O3/c1-13(22)21-6-4-14(5-7-21)18-17(11-23-12-17)9-15-8-16(24-19-15)10-20(2)3/h8,14,18H,4-7,9-12H2,1-3H3
InChIKeyUDIPLAYWDMWKTH-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.65
Rot. Bonds6

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

1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone (PubChem CID 56775426) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
PubChem CID56775426
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2(Cc3cc(CN(C)C)on3)COC2)CC1
InChIInChI=1S/C17H28N4O3/c1-13(22)21-6-4-14(5-7-21)18-17(11-23-12-17)9-15-8-16(24-19-15)10-20(2)3/h8,14,18H,4-7,9-12H2,1-3H3
InChIKeyUDIPLAYWDMWKTH-UHFFFAOYSA-N
XLogP0.65
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
CID 56774206
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide
CID 56774208
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide
CID 56774210
1-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-3-propan-2-ylurea
CID 56774213
N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclopropanecarboxamide
CID 56774232
N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
CID 56774235
3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine
CID 56775438
1-[4-[[3-[[5-(2-Hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
CID 56775500
N-cyclohexyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
CID 56775540
N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine
CID 56775549
1-[4-[[3-[[5-[[Benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
CID 56775614
N,N-diethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
CID 56775668

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone (CID 56775426) is 1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2(Cc3cc(CN(C)C)on3)COC2)CC1.
What is the InChIKey of 1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is UDIPLAYWDMWKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(22)21-6-4-14(5-7-21)18-17(11-23-12-17)9-15-8-16(24-19-15)10-20(2)3/h8,14,18H,4-7,9-12H2,1-3H3.
What are the key properties of 1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 336.44 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 56775426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).