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

C16H13N3O3S — CID 855986

IUPAC2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccccc1
InChIInChI=1S/C16H13N3O3S/c20-13-8-6-11(7-9-13)15-18-19-16(22-15)23-10-14(21)17-12-4-2-1-3-5-12/h1-9,20H,10H2,(H,17,21)
InChIKeyNJLPVBKTKOZAAG-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.17
Rot. Bonds5

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

2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 855986) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID855986
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccccc1
InChIInChI=1S/C16H13N3O3S/c20-13-8-6-11(7-9-13)15-18-19-16(22-15)23-10-14(21)17-12-4-2-1-3-5-12/h1-9,20H,10H2,(H,17,21)
InChIKeyNJLPVBKTKOZAAG-UHFFFAOYSA-N
XLogP3.17
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{3-[5-(4-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propanamido}benzoic acid
CID 135800175
4-(5-Benzylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 855989
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
N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide (8c)
CID 122362928
N-(3-Chloro-phenyl)-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 648851
2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-naphthalen-1-yl-propionamide
CID 652022
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-(2-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 891159
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]thio}-N-phenylacetamide
CID 1289607

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (CID 855986) is 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccccc1.
What is the InChIKey of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is NJLPVBKTKOZAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-13-8-6-11(7-9-13)15-18-19-16(22-15)23-10-14(21)17-12-4-2-1-3-5-12/h1-9,20H,10H2,(H,17,21).
What are the key properties of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 327.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 855986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).