N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide

C17H17N3O3S — CID 100634154

IUPACN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCOc1cccc(-c2noc(CN(C)C(=O)Cc3cccs3)n2)c1
InChIInChI=1S/C17H17N3O3S/c1-20(16(21)10-14-7-4-8-24-14)11-15-18-17(19-23-15)12-5-3-6-13(9-12)22-2/h3-9H,10-11H2,1-2H3
InChIKeyGJOFWAPMTOYEBX-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.01
Rot. Bonds6

About N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide

N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 100634154) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID100634154
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCOc1cccc(-c2noc(CN(C)C(=O)Cc3cccs3)n2)c1
InChIInChI=1S/C17H17N3O3S/c1-20(16(21)10-14-7-4-8-24-14)11-15-18-17(19-23-15)12-5-3-6-13(9-12)22-2/h3-9H,10-11H2,1-2H3
InChIKeyGJOFWAPMTOYEBX-UHFFFAOYSA-N
XLogP3.01
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-3-methylphenyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 100574219
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110324143
3-(2,6-dichlorophenyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 100604591
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 99999152
2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 50874883
3-chloro-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 50874619
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100757372
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-nitrobenzamide
CID 99995003
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanesulfonamide
CID 53278196
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 112790494
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132657248
(2S)-2-(2-chlorophenoxy)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 97267417

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide (CID 100634154) is N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide is COc1cccc(-c2noc(CN(C)C(=O)Cc3cccs3)n2)c1.
What is the InChIKey of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is GJOFWAPMTOYEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20(16(21)10-14-7-4-8-24-14)11-15-18-17(19-23-15)12-5-3-6-13(9-12)22-2/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide?
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 343.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 100634154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).