2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

C22H23N3O3 — CID 19244640

IUPAC2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C22H23N3O3/c1-14-9-15(2)11-19(10-14)27-13-20(26)23-22-21(24-28-25-22)18-8-7-16-5-3-4-6-17(16)12-18/h7-12H,3-6,13H2,1-2H3,(H,23,25,26)
InChIKeyLYUQSJRXYKKDAL-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.25
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 19244640) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID19244640
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C22H23N3O3/c1-14-9-15(2)11-19(10-14)27-13-20(26)23-22-21(24-28-25-22)18-8-7-16-5-3-4-6-17(16)12-18/h7-12H,3-6,13H2,1-2H3,(H,23,25,26)
InChIKeyLYUQSJRXYKKDAL-UHFFFAOYSA-N
XLogP4.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (CID 19244640) is 2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is LYUQSJRXYKKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-9-15(2)11-19(10-14)27-13-20(26)23-22-21(24-28-25-22)18-8-7-16-5-3-4-6-17(16)12-18/h7-12H,3-6,13H2,1-2H3,(H,23,25,26).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 19244640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).