2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

C17H21N3O4S — CID 648099

IUPAC2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)NCC3CCCO3)o2)cc1
InChIInChI=1S/C17H21N3O4S/c1-22-13-6-4-12(5-7-13)9-16-19-20-17(24-16)25-11-15(21)18-10-14-3-2-8-23-14/h4-7,14H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyQGNWFHARUQISBY-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.06
Rot. Bonds8

About 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 648099) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID648099
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)NCC3CCCO3)o2)cc1
InChIInChI=1S/C17H21N3O4S/c1-22-13-6-4-12(5-7-13)9-16-19-20-17(24-16)25-11-15(21)18-10-14-3-2-8-23-14/h4-7,14H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyQGNWFHARUQISBY-UHFFFAOYSA-N
XLogP2.06
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-Cyclopentyl-2-[5-(4-methoxy-benzyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 856652
N-(2-furylmethyl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]thio}acetamide
CID 1326212
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 1326340
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 2920510
2-({5-[(4-Methoxyphenyl)methyl]-1,3,4-oxadiazol-2-YL}sulfanyl)-1-(3-methylpiperidin-1-YL)ethanone
CID 3188548
3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-propyl-N-(tetrahydro-2-furanylmethyl)propanamide
CID 24790274
2-({5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]propanamide
CID 24816977
N-[(5-{[(Cyclopentylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-YL)methyl]-4-methoxybenzamide
CID 3597527
2-({5-[(4-Methoxyphenyl)methyl]-1,3,4-oxadiazol-2-YL}sulfanyl)-1-(piperidin-1-YL)ethanone
CID 857534
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2649562
4-Methoxy-N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}benzamide
CID 4432823
2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 6915208

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 648099) is 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(Cc2nnc(SCC(=O)NCC3CCCO3)o2)cc1.
What is the InChIKey of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is QGNWFHARUQISBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-22-13-6-4-12(5-7-13)9-16-19-20-17(24-16)25-11-15(21)18-10-14-3-2-8-23-14/h4-7,14H,2-3,8-11H2,1H3,(H,18,21).
What are the key properties of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 648099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).