N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H20ClN3O2S — CID 119940067

IUPACN-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1coc(-c2cccc(NC(=O)CC3CSCCN3)c2)n1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-11-9-21-16(18-11)12-3-2-4-13(7-12)19-15(20)8-14-10-22-6-5-17-14;/h2-4,7,9,14,17H,5-6,8,10H2,1H3,(H,19,20);1H
InChIKeyNRRJSMRGTZPGNX-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.11
Rot. Bonds4

About N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940067) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940067
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1coc(-c2cccc(NC(=O)CC3CSCCN3)c2)n1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-11-9-21-16(18-11)12-3-2-4-13(7-12)19-15(20)8-14-10-22-6-5-17-14;/h2-4,7,9,14,17H,5-6,8,10H2,1H3,(H,19,20);1H
InChIKeyNRRJSMRGTZPGNX-UHFFFAOYSA-N
XLogP3.11
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940404
N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936154
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941815
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
CID 119938258
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119337937
N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940299

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940067) is N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1coc(-c2cccc(NC(=O)CC3CSCCN3)c2)n1.Cl.
What is the InChIKey of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is NRRJSMRGTZPGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-11-9-21-16(18-11)12-3-2-4-13(7-12)19-15(20)8-14-10-22-6-5-17-14;/h2-4,7,9,14,17H,5-6,8,10H2,1H3,(H,19,20);1H.
What are the key properties of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).