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

C20H29N3O3S — CID 92705477

IUPACN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(CCCNC(=O)COCc2cc(-c3cccs3)on2)C1
InChIInChI=1S/C20H29N3O3S/c1-15-9-16(2)12-23(11-15)7-4-6-21-20(24)14-25-13-17-10-18(26-22-17)19-5-3-8-27-19/h3,5,8,10,15-16H,4,6-7,9,11-14H2,1-2H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyLZFGZQXPKQXZGW-HZPDHXFCSA-N
MW391.54 g/mol
LogP3.40
Rot. Bonds9

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

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (PubChem CID 92705477) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
PubChem CID92705477
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(CCCNC(=O)COCc2cc(-c3cccs3)on2)C1
InChIInChI=1S/C20H29N3O3S/c1-15-9-16(2)12-23(11-15)7-4-6-21-20(24)14-25-13-17-10-18(26-22-17)19-5-3-8-27-19/h3,5,8,10,15-16H,4,6-7,9,11-14H2,1-2H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyLZFGZQXPKQXZGW-HZPDHXFCSA-N
XLogP3.40
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.40
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-(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
N-[2-(azepan-1-yl)ethyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906368
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 92722011
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 92722005
N-[(4-propan-2-yloxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254235
N-[(2R)-1-methoxypropan-2-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 29038507
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254242
N-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254206
1-(2-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanone
CID 20906301
N-[5-(3-methylpiperidin-1-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 163542403
methyl 1-[5-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentyl]azetidine-3-carboxylate
CID 135334759

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (CID 92705477) is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.
What is the SMILES notation for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The canonical SMILES for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is C[C@@H]1C[C@@H](C)CN(CCCNC(=O)COCc2cc(-c3cccs3)on2)C1.
What is the InChIKey of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The InChIKey is LZFGZQXPKQXZGW-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-15-9-16(2)12-23(11-15)7-4-6-21-20(24)14-25-13-17-10-18(26-22-17)19-5-3-8-27-19/h3,5,8,10,15-16H,4,6-7,9,11-14H2,1-2H3,(H,21,24)/t15-,16-/m1/s1.
What are the key properties of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
N-[3-[(3R,5R)-3,5-dimethylpiperidin-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 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is sourced from PubChem (CID 92705477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).