4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide

C23H25N3O2 — CID 19244598

About 4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide

4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 19244598) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
• PubChem CID: 19244598
• Molecular Formula: C23H25N3O2
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.19
• IUPAC Name: 4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
• SMILES: CC(C)(C)c1ccc(C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1
• InChI: InChI=1S/C23H25N3O2/c1-23(2,3)19-12-10-16(11-13-19)22(27)24-21-20(25-28-26-21)18-9-8-15-6-4-5-7-17(15)14-18/h8-14H,4-7H2,1-3H3,(H,24,26,27)
• InChIKey: NCIMPMMYCRLTNJ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide (CID 19244598) is 4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide.

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

The canonical SMILES for 4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1.

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

The InChIKey is NCIMPMMYCRLTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,3)19-12-10-16(11-13-19)22(27)24-21-20(25-28-26-21)18-9-8-15-6-4-5-7-17(15)14-18/h8-14H,4-7H2,1-3H3,(H,24,26,27).

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

4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 19244598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).