4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C18H17N3O3S — CID 7578105

IUPAC4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(-c3ccc(SC)cc3)o2)cc1
InChIInChI=1S/C18H17N3O3S/c1-3-23-14-8-4-12(5-9-14)16(22)19-18-21-20-17(24-18)13-6-10-15(25-2)11-7-13/h4-11H,3H2,1-2H3,(H,19,21,22)
InChIKeyJMYZWHKRIPGVGE-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.11
Rot. Bonds6

About 4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 7578105) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID7578105
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(-c3ccc(SC)cc3)o2)cc1
InChIInChI=1S/C18H17N3O3S/c1-3-23-14-8-4-12(5-9-14)16(22)19-18-21-20-17(24-18)13-6-10-15(25-2)11-7-13/h4-11H,3H2,1-2H3,(H,19,21,22)
InChIKeyJMYZWHKRIPGVGE-UHFFFAOYSA-N
XLogP4.11
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
CID 43975714
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43975667
4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43975649
3-butoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028171
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 16854371
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865
2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977425
4-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7266989

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 7578105) is 4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1ccc(C(=O)Nc2nnc(-c3ccc(SC)cc3)o2)cc1.
What is the InChIKey of 4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is JMYZWHKRIPGVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-3-23-14-8-4-12(5-9-14)16(22)19-18-21-20-17(24-18)13-6-10-15(25-2)11-7-13/h4-11H,3H2,1-2H3,(H,19,21,22).
What are the key properties of 4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 355.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 7578105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).