1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride

C19H26ClN3O2S — CID 120819308

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
SMILESCC1(C)CN(C(=O)CSCc2coc(-c3ccccc3)n2)CCC1N.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-19(2)13-22(9-8-16(19)20)17(23)12-25-11-15-10-24-18(21-15)14-6-4-3-5-7-14;/h3-7,10,16H,8-9,11-13,20H2,1-2H3;1H
InChIKeyRVWAUIHSWALRFC-UHFFFAOYSA-N
MW395.96 g/mol
LogP3.58
Rot. Bonds5

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride (PubChem CID 120819308) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
PubChem CID120819308
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
SMILESCC1(C)CN(C(=O)CSCc2coc(-c3ccccc3)n2)CCC1N.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-19(2)13-22(9-8-16(19)20)17(23)12-25-11-15-10-24-18(21-15)14-6-4-3-5-7-14;/h3-7,10,16H,8-9,11-13,20H2,1-2H3;1H
InChIKeyRVWAUIHSWALRFC-UHFFFAOYSA-N
XLogP3.58
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride with MolForge

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 120814691
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 120818074
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
CID 119634555
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone
CID 55775034
N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110893981
2-[4-[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 78889229
N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
N-(2-methylpiperidin-4-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 120599460
N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 120574731
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 120886769
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate
CID 60611695

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride (CID 120819308) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride is CC1(C)CN(C(=O)CSCc2coc(-c3ccccc3)n2)CCC1N.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride?
The InChIKey is RVWAUIHSWALRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S.ClH/c1-19(2)13-22(9-8-16(19)20)17(23)12-25-11-15-10-24-18(21-15)14-6-4-3-5-7-14;/h3-7,10,16H,8-9,11-13,20H2,1-2H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride is sourced from PubChem (CID 120819308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).