2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide

C25H28N4O4S — CID 3181600

IUPAC2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide
SMILESO=C(CN(Cc1ccccc1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1
InChIInChI=1S/C25H28N4O4S/c30-22(26-20-11-7-8-12-20)16-29(15-19-9-3-1-4-10-19)24(31)18-34-25-28-27-23(33-25)17-32-21-13-5-2-6-14-21/h1-6,9-10,13-14,20H,7-8,11-12,15-18H2,(H,26,30)
InChIKeyNFCZTSNWEUTYKY-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.83
Rot. Bonds11

About 2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide

2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide (PubChem CID 3181600) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide
PubChem CID3181600
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide
SMILESO=C(CN(Cc1ccccc1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1
InChIInChI=1S/C25H28N4O4S/c30-22(26-20-11-7-8-12-20)16-29(15-19-9-3-1-4-10-19)24(31)18-34-25-28-27-23(33-25)17-32-21-13-5-2-6-14-21/h1-6,9-10,13-14,20H,7-8,11-12,15-18H2,(H,26,30)
InChIKeyNFCZTSNWEUTYKY-UHFFFAOYSA-N
XLogP3.83
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 663604
N-Cyclohexylcarbamoylmethyl-N-(4-fluoro-phenyl)-2-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 647334
N-Cyclopentylcarbamoylmethyl-N-(4-fluoro-phenyl)-2-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 652838
N-Cyclopentylcarbamoylmethyl-2-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 654863
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
N-Cyclohexylcarbamoylmethyl-2-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 3184417
2-(4-chlorophenoxy)-N-{[5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide
CID 3238542
2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 663497
N-Cyclohexyl-2-(5-o-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 1130279
N-Cyclohexyl-2-[5-(4-ethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 1135146

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide?
The IUPAC name of 2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide (CID 3181600) is 2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide is O=C(CN(Cc1ccccc1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1.
What is the InChIKey of 2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide?
The InChIKey is NFCZTSNWEUTYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c30-22(26-20-11-7-8-12-20)16-29(15-19-9-3-1-4-10-19)24(31)18-34-25-28-27-23(33-25)17-32-21-13-5-2-6-14-21/h1-6,9-10,13-14,20H,7-8,11-12,15-18H2,(H,26,30).
What are the key properties of 2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide?
2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide has a molecular weight of 480.59 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-cyclopentylacetamide is sourced from PubChem (CID 3181600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).