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

C23H24ClN3O3 — CID 19244632

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

2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 19244632) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide
• PubChem CID: 19244632
• Molecular Formula: C23H24ClN3O3
• Molecular Weight: 425.92 g/mol
• Exact Mass: 425.15
• IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide
• SMILES: Cc1cc(OC(C)C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc(C)c1Cl
• InChI: InChI=1S/C23H24ClN3O3/c1-13-10-19(11-14(2)20(13)24)29-15(3)23(28)25-22-21(26-30-27-22)18-9-8-16-6-4-5-7-17(16)12-18/h8-12,15H,4-7H2,1-3H3,(H,25,27,28)
• InChIKey: MZXIZSNFTNMOQE-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.92
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide?

The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide (CID 19244632) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide.

What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide?

The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide is Cc1cc(OC(C)C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc(C)c1Cl.

What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide?

The InChIKey is MZXIZSNFTNMOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-13-10-19(11-14(2)20(13)24)29-15(3)23(28)25-22-21(26-30-27-22)18-9-8-16-6-4-5-7-17(16)12-18/h8-12,15H,4-7H2,1-3H3,(H,25,27,28).

What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide?

2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 425.92 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 19244632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).