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

C20H15N3O3S — CID 3386877

IUPAC2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H15N3O3S/c24-17-9-6-14(7-10-17)19-22-23-20(26-19)27-12-18(25)21-16-8-5-13-3-1-2-4-15(13)11-16/h1-11,24H,12H2,(H,21,25)
InChIKeyLEKMTJHELIGCSK-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.33
Rot. Bonds5

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

2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide (PubChem CID 3386877) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
PubChem CID3386877
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H15N3O3S/c24-17-9-6-14(7-10-17)19-22-23-20(26-19)27-12-18(25)21-16-8-5-13-3-1-2-4-15(13)11-16/h1-11,24H,12H2,(H,21,25)
InChIKeyLEKMTJHELIGCSK-UHFFFAOYSA-N
XLogP4.33
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
N-naphthalen-2-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981801
N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9343641
2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 3898820
dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 3913763
N-(3,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2701910
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4008503
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylphenyl)acetamide
CID 5115761
N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1112961
N-(4-chlorophenyl)-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 4306999
N-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 1080106
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4019395

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide (CID 3386877) is 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide is O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide?
The InChIKey is LEKMTJHELIGCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-17-9-6-14(7-10-17)19-22-23-20(26-19)27-12-18(25)21-16-8-5-13-3-1-2-4-15(13)11-16/h1-11,24H,12H2,(H,21,25).
What are the key properties of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide?
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide has a molecular weight of 377.43 g/mol, XLogP of 4.33, 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-naphthalen-2-ylacetamide is sourced from PubChem (CID 3386877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).