N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide

C24H33N5O2 — CID 92768755

About N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide

N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide (PubChem CID 92768755) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
• PubChem CID: 92768755
• Molecular Formula: C24H33N5O2
• Molecular Weight: 423.56 g/mol
• Exact Mass: 423.26
• IUPAC Name: N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
• SMILES: CCCC[C@@H](CC)CNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C(C)C)c1
• InChI: InChI=1S/C24H33N5O2/c1-6-8-10-18(7-2)15-25-23(30)19-11-9-12-20(13-19)29-22(16(3)4)14-21(28-29)24-27-26-17(5)31-24/h9,11-14,16,18H,6-8,10,15H2,1-5H3,(H,25,30)/t18-/m1/s1
• InChIKey: SITVTHMUPKKVCR-GOSISDBHSA-N
• XLogP: 5.30
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.56
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?

The IUPAC name of N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide (CID 92768755) is N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide.

What is the SMILES notation for N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?

The canonical SMILES for N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide is CCCC[C@@H](CC)CNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C(C)C)c1.

What is the InChIKey of N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?

The InChIKey is SITVTHMUPKKVCR-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-6-8-10-18(7-2)15-25-23(30)19-11-9-12-20(13-19)29-22(16(3)4)14-21(28-29)24-27-26-17(5)31-24/h9,11-14,16,18H,6-8,10,15H2,1-5H3,(H,25,30)/t18-/m1/s1.

What are the key properties of N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?

N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide is sourced from PubChem (CID 92768755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).