1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C24H26N4O4 — CID 45185070

About 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 45185070) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
• PubChem CID: 45185070
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
• SMILES: CC(C)c1cc(C(=O)N2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)no1
• InChI: InChI=1S/C24H26N4O4/c1-16(2)22-13-20(27-32-22)24(30)28-12-6-7-17(15-28)23(29)26-19-9-3-4-10-21(19)31-18-8-5-11-25-14-18/h3-5,8-11,13-14,16-17H,6-7,12,15H2,1-2H3,(H,26,29)
• InChIKey: UUAYXXGCZNRQRF-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?

The IUPAC name of 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 45185070) is 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?

The canonical SMILES for 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is CC(C)c1cc(C(=O)N2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)no1.

What is the InChIKey of 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?

The InChIKey is UUAYXXGCZNRQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16(2)22-13-20(27-32-22)24(30)28-12-6-7-17(15-28)23(29)26-19-9-3-4-10-21(19)31-18-8-5-11-25-14-18/h3-5,8-11,13-14,16-17H,6-7,12,15H2,1-2H3,(H,26,29).

What are the key properties of 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?

1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 45185070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).