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

C19H19N3O3S — CID 663497

IUPAC2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nnc(COc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-14(15-8-4-2-5-9-15)20-17(23)13-26-19-22-21-18(25-19)12-24-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)
InChIKeyIFUPPCSKMCCMAT-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.62
Rot. Bonds8

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

2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 663497) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID663497
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nnc(COc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-14(15-8-4-2-5-9-15)20-17(23)13-26-19-22-21-18(25-19)12-24-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)
InChIKeyIFUPPCSKMCCMAT-UHFFFAOYSA-N
XLogP3.62
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Piperidin-1-yl-2-(5-m-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 864816
2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 663604
N-Cyclohexyl-2-[5-(4-methoxy-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 1151511
N-cyclohexyl-N-methyl-2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 2399766
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 2920510
N-Cyclopentylcarbamoylmethyl-N-(4-methyl-benzyl)-2-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 3155199
3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-(trifluoromethyl)benzyl]propanamide
CID 16190282
2-({5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
CID 1132633
N-benzyl-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16191562
1-Pyrrolidin-1-yl-2-(5-m-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 862298
1-Piperidin-1-yl-2-(5-o-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 864814
2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[2-(propan-2-yl)phenyl]acetamide
CID 3599537

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide (CID 663497) is 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CSc1nnc(COc2ccccc2)o1)c1ccccc1.
What is the InChIKey of 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is IFUPPCSKMCCMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14(15-8-4-2-5-9-15)20-17(23)13-26-19-22-21-18(25-19)12-24-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23).
What are the key properties of 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 663497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).