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

C20H21N3O3S — CID 43975408

IUPAC4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(Cc3ccc(SCC)cc3)o2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-25-16-9-7-15(8-10-16)19(24)21-20-23-22-18(26-20)13-14-5-11-17(12-6-14)27-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,23,24)
InChIKeyIALSTBXJKGQRAU-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.42
Rot. Bonds8

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

4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43975408) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43975408
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(Cc3ccc(SCC)cc3)o2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-25-16-9-7-15(8-10-16)19(24)21-20-23-22-18(26-20)13-14-5-11-17(12-6-14)27-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,23,24)
InChIKeyIALSTBXJKGQRAU-UHFFFAOYSA-N
XLogP4.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pentoxybenzamide
CID 43975392
2-(4-ethoxyphenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43975495
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43975320
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
CID 43975714
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethylbenzamide
CID 43975536
3-bromo-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975347
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 41226142
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494
4-butoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973453
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43975517
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43975293
4-[cyclopropyl(methyl)sulfamoyl]-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975500

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43975408) is 4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CCOc1ccc(C(=O)Nc2nnc(Cc3ccc(SCC)cc3)o2)cc1.
What is the InChIKey of 4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is IALSTBXJKGQRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-25-16-9-7-15(8-10-16)19(24)21-20-23-22-18(26-20)13-14-5-11-17(12-6-14)27-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,23,24).
What are the key properties of 4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 4.42, 8 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-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43975408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).