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

C17H17N3O3S — CID 71781001

IUPAC3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2nnc(-c3cc(C)cs3)o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-9-14(24-10-11)16-19-20-17(23-16)18-15(21)8-5-12-3-6-13(22-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,20,21)
InChIKeyLCOYMFJWXFQKCP-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.69
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 71781001) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID71781001
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2nnc(-c3cc(C)cs3)o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-9-14(24-10-11)16-19-20-17(23-16)18-15(21)8-5-12-3-6-13(22-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,20,21)
InChIKeyLCOYMFJWXFQKCP-UHFFFAOYSA-N
XLogP3.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16854277
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
4-(4-methoxyphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 41273921
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273846
3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide
CID 53143342
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 90603240
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086523
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324486

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 71781001) is 3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is COc1ccc(CCC(=O)Nc2nnc(-c3cc(C)cs3)o2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is LCOYMFJWXFQKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-9-14(24-10-11)16-19-20-17(23-16)18-15(21)8-5-12-3-6-13(22-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,20,21).
What are the key properties of 3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 343.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 71781001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).