N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide

C19H19N3O2S — CID 42951167

IUPACN-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
SMILESCC(NC(=O)CSCc1nc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C19H19N3O2S/c1-14(15-8-4-2-5-9-15)20-17(23)12-25-13-18-21-19(22-24-18)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)
InChIKeyRPYITRQUULZRQA-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.85
Rot. Bonds7

About N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide

N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide (PubChem CID 42951167) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
PubChem CID42951167
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
SMILESCC(NC(=O)CSCc1nc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C19H19N3O2S/c1-14(15-8-4-2-5-9-15)20-17(23)12-25-13-18-21-19(22-24-18)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)
InChIKeyRPYITRQUULZRQA-UHFFFAOYSA-N
XLogP3.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38638875
N-[(1S)-1-phenylethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 51724996
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
2-(2-phenylethylsulfanyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
CID 71907115
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 50759593
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenylacetamide
CID 50759748
N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 134001528
N-[(1R)-1-phenylethyl]-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100755550

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide (CID 42951167) is N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide is CC(NC(=O)CSCc1nc(-c2ccccc2)no1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The InChIKey is RPYITRQUULZRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14(15-8-4-2-5-9-15)20-17(23)12-25-13-18-21-19(22-24-18)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23).
What are the key properties of N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 42951167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).