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

C16H15N3O3S — CID 53162088

IUPACN-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2nnc(-c3sccc3C)o2)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-23-15(10)16-19-18-14(22-16)9-13(20)17-11-3-5-12(21-2)6-4-11/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyYBDCVQJDXMVAIB-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.30
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 53162088) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID53162088
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2nnc(-c3sccc3C)o2)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-23-15(10)16-19-18-14(22-16)9-13(20)17-11-3-5-12(21-2)6-4-11/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyYBDCVQJDXMVAIB-UHFFFAOYSA-N
XLogP3.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162083
N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162061
N-(2,6-difluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162073
N-cyclohexyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162107
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
2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 53017537
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066
N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162130
N-[(2-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162121
[2-(4-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9375255
N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335290

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 53162088) is N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is COc1ccc(NC(=O)Cc2nnc(-c3sccc3C)o2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is YBDCVQJDXMVAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-7-8-23-15(10)16-19-18-14(22-16)9-13(20)17-11-3-5-12(21-2)6-4-11/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 53162088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).