[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

C19H19N3O4S — CID 31660053

IUPAC[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCN(C)C(=O)[C@@H](OC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1
InChIInChI=1S/C19H19N3O4S/c1-22(2)19(24)17(13-7-4-3-5-8-13)25-16(23)11-10-15-20-18(21-26-15)14-9-6-12-27-14/h3-9,12,17H,10-11H2,1-2H3/t17-/m0/s1
InChIKeyFRVGWNUGDMFYAN-KRWDZBQOSA-N
MW385.45 g/mol
LogP3.10
Rot. Bonds7

About [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 31660053) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID31660053
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCN(C)C(=O)[C@@H](OC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1
InChIInChI=1S/C19H19N3O4S/c1-22(2)19(24)17(13-7-4-3-5-8-13)25-16(23)11-10-15-20-18(21-26-15)14-9-6-12-27-14/h3-9,12,17H,10-11H2,1-2H3/t17-/m0/s1
InChIKeyFRVGWNUGDMFYAN-KRWDZBQOSA-N
XLogP3.10
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methoxy-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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(2-butan-2-ylphenyl) 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 55413612
N-methyl-N-(2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134058828
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 31659811
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134054629
2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119198537
2-(dimethylamino)-2-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 110632070
methyl 3-[benzyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoate
CID 47084637
1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 60837559
2-[2-methoxyethyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119189502
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 31660053) is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate is CN(C)C(=O)[C@@H](OC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is FRVGWNUGDMFYAN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-22(2)19(24)17(13-7-4-3-5-8-13)25-16(23)11-10-15-20-18(21-26-15)14-9-6-12-27-14/h3-9,12,17H,10-11H2,1-2H3/t17-/m0/s1.
What are the key properties of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 385.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 31660053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).