N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

C20H29N3O3S — CID 92722011

IUPACN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)COCc1cc(-c2cccs2)on1
InChIInChI=1S/C20H29N3O3S/c1-2-17-7-3-4-10-23(17)11-6-9-21-20(24)15-25-14-16-13-18(26-22-16)19-8-5-12-27-19/h5,8,12-13,17H,2-4,6-7,9-11,14-15H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyBMIRNQGNIYVWKN-QGZVFWFLSA-N
MW391.54 g/mol
LogP3.69
Rot. Bonds10

About N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (PubChem CID 92722011) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
PubChem CID92722011
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)COCc1cc(-c2cccs2)on1
InChIInChI=1S/C20H29N3O3S/c1-2-17-7-3-4-10-23(17)11-6-9-21-20(24)15-25-14-16-13-18(26-22-16)19-8-5-12-27-19/h5,8,12-13,17H,2-4,6-7,9-11,14-15H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyBMIRNQGNIYVWKN-QGZVFWFLSA-N
XLogP3.69
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 92722005
N-[2-(azepan-1-yl)ethyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906368
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 92705477
N-(3-methoxypropyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906356
N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906303
1-(2-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanone
CID 20906301
[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol
CID 60684977
N-[(2R)-1-methoxypropan-2-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 29038507
ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate
CID 20906343
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[(4-propan-2-yloxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254235
ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate
CID 20906318

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The IUPAC name of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (CID 92722011) is N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.
What is the SMILES notation for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The canonical SMILES for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is CC[C@@H]1CCCCN1CCCNC(=O)COCc1cc(-c2cccs2)on1.
What is the InChIKey of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The InChIKey is BMIRNQGNIYVWKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-2-17-7-3-4-10-23(17)11-6-9-21-20(24)15-25-14-16-13-18(26-22-16)19-8-5-12-27-19/h5,8,12-13,17H,2-4,6-7,9-11,14-15H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide has a molecular weight of 391.54 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is sourced from PubChem (CID 92722011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).