(5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate

C17H21N3O3S — CID 95635779

IUPAC(5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
SMILESCCc1nnc(COC(=O)[C@H](c2ccccc2)N2CCSCC2)o1
InChIInChI=1S/C17H21N3O3S/c1-2-14-18-19-15(23-14)12-22-17(21)16(13-6-4-3-5-7-13)20-8-10-24-11-9-20/h3-7,16H,2,8-12H2,1H3/t16-/m0/s1
InChIKeyHJMHKIHAQLDCDP-INIZCTEOSA-N
MW347.44 g/mol
LogP2.47
Rot. Bonds6

About (5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate

(5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate (PubChem CID 95635779) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate.

Molecular Properties

Compound Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
PubChem CID95635779
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
SMILESCCc1nnc(COC(=O)[C@H](c2ccccc2)N2CCSCC2)o1
InChIInChI=1S/C17H21N3O3S/c1-2-14-18-19-15(23-14)12-22-17(21)16(13-6-4-3-5-7-13)20-8-10-24-11-9-20/h3-7,16H,2,8-12H2,1H3/t16-/m0/s1
InChIKeyHJMHKIHAQLDCDP-INIZCTEOSA-N
XLogP2.47
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
CID 95635785
(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95293657
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenyl-2-thiomorpholin-4-ylethanone;dihydrochloride
CID 119647225
(2S)-1-(4-acetylpiperazin-1-yl)-2-phenyl-2-thiomorpholin-4-ylethanone
CID 95151755
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
CID 66648860
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 94821206

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate?
The IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate (CID 95635779) is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate.
What is the SMILES notation for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate?
The canonical SMILES for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate is CCc1nnc(COC(=O)[C@H](c2ccccc2)N2CCSCC2)o1.
What is the InChIKey of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate?
The InChIKey is HJMHKIHAQLDCDP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-14-18-19-15(23-14)12-22-17(21)16(13-6-4-3-5-7-13)20-8-10-24-11-9-20/h3-7,16H,2,8-12H2,1H3/t16-/m0/s1.
What are the key properties of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate?
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate has a molecular weight of 347.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate is sourced from PubChem (CID 95635779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).