N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

C18H19N3O3S — CID 53162130

IUPACN-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCOc1cccc(CNC(=O)Cc2nnc(-c3sccc3C)o2)c1
InChIInChI=1S/C18H19N3O3S/c1-3-23-14-6-4-5-13(9-14)11-19-15(22)10-16-20-21-18(24-16)17-12(2)7-8-25-17/h4-9H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyXPWXBRUDOPCVNM-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.36
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 53162130) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID53162130
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCOc1cccc(CNC(=O)Cc2nnc(-c3sccc3C)o2)c1
InChIInChI=1S/C18H19N3O3S/c1-3-23-14-6-4-5-13(9-14)11-19-15(22)10-16-20-21-18(24-16)17-12(2)7-8-25-17/h4-9H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyXPWXBRUDOPCVNM-UHFFFAOYSA-N
XLogP3.36
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162121
N-[(4-methylphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162117
N-[(3-ethoxyphenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906391
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95100278
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95100279
N-(2,6-difluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162073
N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162061
N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162088
N-cyclohexyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162107
2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148390
N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161973
N-[(3-ethoxyphenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide
CID 166187909

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 53162130) is N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is CCOc1cccc(CNC(=O)Cc2nnc(-c3sccc3C)o2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is XPWXBRUDOPCVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-23-14-6-4-5-13(9-14)11-19-15(22)10-16-20-21-18(24-16)17-12(2)7-8-25-17/h4-9H,3,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 53162130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).