N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C25H26F2N4O3 — CID 156906533

About N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906533) has the molecular formula C25H26F2N4O3 and a molecular weight of 468.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 156906533
• Molecular Formula: C25H26F2N4O3
• Molecular Weight: 468.50 g/mol
• Exact Mass: 468.20
• IUPAC Name: N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
• SMILES: CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NC2CC(F)(F)C2)c2cccnc2)cc1
• InChI: InChI=1S/C25H26F2N4O3/c1-24(2,3)17-6-8-19(9-7-17)31(23(33)20-14-34-15-29-20)21(16-5-4-10-28-13-16)22(32)30-18-11-25(26,27)12-18/h4-10,13-15,18,21H,11-12H2,1-3H3,(H,30,32)
• InChIKey: KRWOLCCLEWFBJG-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.50
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906533) is N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NC2CC(F)(F)C2)c2cccnc2)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

The InChIKey is KRWOLCCLEWFBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O3/c1-24(2,3)17-6-8-19(9-7-17)31(23(33)20-14-34-15-29-20)21(16-5-4-10-28-13-16)22(32)30-18-11-25(26,27)12-18/h4-10,13-15,18,21H,11-12H2,1-3H3,(H,30,32).

What are the key properties of N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 468.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).