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

C20H21N3O3S — CID 1324479

IUPAC2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1cccc(OCc2nnc(SCC(=O)NCCc3ccccc3)o2)c1
InChIInChI=1S/C20H21N3O3S/c1-15-6-5-9-17(12-15)25-13-19-22-23-20(26-19)27-14-18(24)21-11-10-16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3,(H,21,24)
InChIKeyRWSYQRMJKSKNEU-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.41
Rot. Bonds9

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

2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 1324479) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID1324479
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1cccc(OCc2nnc(SCC(=O)NCCc3ccccc3)o2)c1
InChIInChI=1S/C20H21N3O3S/c1-15-6-5-9-17(12-15)25-13-19-22-23-20(26-19)27-14-18(24)21-11-10-16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3,(H,21,24)
InChIKeyRWSYQRMJKSKNEU-UHFFFAOYSA-N
XLogP3.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

2-(5-Phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 864811
1-Piperidin-1-yl-2-(5-m-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 864816
2-[5-(3,5-Dimethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-piperidin-1-yl-ethanone
CID 1134808
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
N-Cyclopentylcarbamoylmethyl-N-(4-methyl-benzyl)-2-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 3155199
2-(4-chlorophenoxy)-N-{[5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide
CID 3238542
N-benzyl-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16191562
2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 663497
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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (CID 1324479) is 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is Cc1cccc(OCc2nnc(SCC(=O)NCCc3ccccc3)o2)c1.
What is the InChIKey of 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is RWSYQRMJKSKNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-6-5-9-17(12-15)25-13-19-22-23-20(26-19)27-14-18(24)21-11-10-16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3,(H,21,24).
What are the key properties of 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1324479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).