3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide

C22H29N5O2 — CID 99787256

About 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide

3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide (PubChem CID 99787256) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide.

Molecular Properties

• Compound Name: 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
• PubChem CID: 99787256
• Molecular Formula: C22H29N5O2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.23
• IUPAC Name: 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
• SMILES: CC(C)(C)c1cc(NC(=O)CCc2ncc(C(C)(C)C)o2)n(-c2ccccn2)n1
• InChI: InChI=1S/C22H29N5O2/c1-21(2,3)15-13-18(27(26-15)17-9-7-8-12-23-17)25-19(28)10-11-20-24-14-16(29-20)22(4,5)6/h7-9,12-14H,10-11H2,1-6H3,(H,25,28)
• InChIKey: KDXXUFPSDGCVQD-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide?

The IUPAC name of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide (CID 99787256) is 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide.

What is the SMILES notation for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide?

The canonical SMILES for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide is CC(C)(C)c1cc(NC(=O)CCc2ncc(C(C)(C)C)o2)n(-c2ccccn2)n1.

What is the InChIKey of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide?

The InChIKey is KDXXUFPSDGCVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-21(2,3)15-13-18(27(26-15)17-9-7-8-12-23-17)25-19(28)10-11-20-24-14-16(29-20)22(4,5)6/h7-9,12-14H,10-11H2,1-6H3,(H,25,28).

What are the key properties of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide?

3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide has a molecular weight of 395.51 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide is sourced from PubChem (CID 99787256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).