N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride

C18H24ClN3O2S — CID 120574731

IUPACN-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CSCc1coc(-c2ccccc2)n1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-13-16(8-5-9-19-13)21-17(22)12-24-11-15-10-23-18(20-15)14-6-3-2-4-7-14;/h2-4,6-7,10,13,16,19H,5,8-9,11-12H2,1H3,(H,21,22);1H
InChIKeyQXUYOFOKGZKARV-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.25
Rot. Bonds6

About N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride (PubChem CID 120574731) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
PubChem CID120574731
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC NameN-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CSCc1coc(-c2ccccc2)n1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-13-16(8-5-9-19-13)21-17(22)12-24-11-15-10-23-18(20-15)14-6-3-2-4-7-14;/h2-4,6-7,10,13,16,19H,5,8-9,11-12H2,1H3,(H,21,22);1H
InChIKeyQXUYOFOKGZKARV-UHFFFAOYSA-N
XLogP3.25
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride with MolForge

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 120599460
N-(2-methylpiperidin-4-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 120599461
N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120573924
N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110893981
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225340
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 119223648
N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110001098
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394434
2-(2-phenyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylcyclopentyl)acetamide
CID 167926329

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride (CID 120574731) is N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride is CC1NCCCC1NC(=O)CSCc1coc(-c2ccccc2)n1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride?
The InChIKey is QXUYOFOKGZKARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c1-13-16(8-5-9-19-13)21-17(22)12-24-11-15-10-23-18(20-15)14-6-3-2-4-7-14;/h2-4,6-7,10,13,16,19H,5,8-9,11-12H2,1H3,(H,21,22);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride is sourced from PubChem (CID 120574731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).