2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide

C23H15N3O4S — CID 3668874

IUPAC2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C23H15N3O4S/c27-20(24-16-9-10-19-15(12-16)8-11-21(28)29-19)13-31-23-26-25-22(30-23)18-7-3-5-14-4-1-2-6-17(14)18/h1-12H,13H2,(H,24,27)
InChIKeyUSFBGSUDUVGQMA-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.73
Rot. Bonds5

About 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide

2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide (PubChem CID 3668874) has the molecular formula C23H15N3O4S and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide
PubChem CID3668874
Molecular FormulaC23H15N3O4S
Molecular Weight429.46 g/mol
Exact Mass429.08
IUPAC Name2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C23H15N3O4S/c27-20(24-16-9-10-19-15(12-16)8-11-21(28)29-19)13-31-23-26-25-22(30-23)18-7-3-5-14-4-1-2-6-17(14)18/h1-12H,13H2,(H,24,27)
InChIKeyUSFBGSUDUVGQMA-UHFFFAOYSA-N
XLogP4.73
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxochromen-6-yl)acetamide
CID 3913044
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxochromen-6-yl)acetamide
CID 4026797
dimethyl 5-[[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 4990658
N-(2,6-diethylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3352297
N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
3-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]chromen-2-one
CID 4668510
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 4212041
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 3386877
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
CID 4298735
N-(2-ethyl-6-methylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4001427
N-naphthalen-2-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981801
[2-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl] thiocyanate
CID 91683582

Frequently Asked Questions

What is the IUPAC name of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide (CID 3668874) is 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide is O=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is USFBGSUDUVGQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4S/c27-20(24-16-9-10-19-15(12-16)8-11-21(28)29-19)13-31-23-26-25-22(30-23)18-7-3-5-14-4-1-2-6-17(14)18/h1-12H,13H2,(H,24,27).
What are the key properties of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide?
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide has a molecular weight of 429.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 3668874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).