2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide

C18H17N3O3S — CID 3126867

IUPAC2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)Sc1nnc(-c2ccccc2O)o1
InChIInChI=1S/C18H17N3O3S/c1-11-7-3-5-9-14(11)19-16(23)12(2)25-18-21-20-17(24-18)13-8-4-6-10-15(13)22/h3-10,12,22H,1-2H3,(H,19,23)
InChIKeyXGMGKKOSSDVZEW-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.87
Rot. Bonds5

About 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide

2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide (PubChem CID 3126867) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide
PubChem CID3126867
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)Sc1nnc(-c2ccccc2O)o1
InChIInChI=1S/C18H17N3O3S/c1-11-7-3-5-9-14(11)19-16(23)12(2)25-18-21-20-17(24-18)13-8-4-6-10-15(13)22/h3-10,12,22H,1-2H3,(H,19,23)
InChIKeyXGMGKKOSSDVZEW-UHFFFAOYSA-N
XLogP3.87
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenyl-acetamide
CID 855986
N-Cyclohexyl-2-[5-(2-hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 856393
2-((5-(3-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1206453
N-(3-Hydroxy-phenyl)-2-[5-(4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 135693227
2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-naphthalen-1-yl-propionamide
CID 652022
N-(2,3-Dimethyl-phenyl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656184
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 779642
N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1071228
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 1289607
2-{[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}-N-phenylacetamide
CID 2235406
3-{[5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl]thio}-1-phenyl-2,5-pyrrolidinedione
CID 2963431

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide (CID 3126867) is 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)Sc1nnc(-c2ccccc2O)o1.
What is the InChIKey of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide?
The InChIKey is XGMGKKOSSDVZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-7-3-5-9-14(11)19-16(23)12(2)25-18-21-20-17(24-18)13-8-4-6-10-15(13)22/h3-10,12,22H,1-2H3,(H,19,23).
What are the key properties of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide?
2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide has a molecular weight of 355.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 3126867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).