2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide

C18H19N3O3S — CID 52794526

IUPAC2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide
SMILESCCC[C@H](NC(=O)Cn1c(-c2cccs2)noc1=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-2-7-14(13-8-4-3-5-9-13)19-16(22)12-21-17(20-24-18(21)23)15-10-6-11-25-15/h3-6,8-11,14H,2,7,12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyIYKNFQTVPKLGPN-AWEZNQCLSA-N
MW357.44 g/mol
LogP3.22
Rot. Bonds7

About 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide

2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide (PubChem CID 52794526) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide
PubChem CID52794526
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide
SMILESCCC[C@H](NC(=O)Cn1c(-c2cccs2)noc1=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-2-7-14(13-8-4-3-5-9-13)19-16(22)12-21-17(20-24-18(21)23)15-10-6-11-25-15/h3-6,8-11,14H,2,7,12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyIYKNFQTVPKLGPN-AWEZNQCLSA-N
XLogP3.22
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide with MolForge

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52751080
N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772068
N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772001
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771997
N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772048
N-(4-acetylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 51099628
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 47772000
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide
CID 8879020
N-[(4-chlorophenyl)methyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772019
N-(2-bromo-4-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771985
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772151
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide
CID 46661201

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide?
The IUPAC name of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide (CID 52794526) is 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide is CCC[C@H](NC(=O)Cn1c(-c2cccs2)noc1=O)c1ccccc1.
What is the InChIKey of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide?
The InChIKey is IYKNFQTVPKLGPN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-7-14(13-8-4-3-5-9-13)19-16(22)12-21-17(20-24-18(21)23)15-10-6-11-25-15/h3-6,8-11,14H,2,7,12H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide?
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide is sourced from PubChem (CID 52794526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).