5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide

C27H31F2N5O3 — CID 166021578

About 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide

5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 166021578) has the molecular formula C27H31F2N5O3 and a molecular weight of 511.57 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 166021578
• Molecular Formula: C27H31F2N5O3
• Molecular Weight: 511.57 g/mol
• Exact Mass: 511.24
• IUPAC Name: 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: CC(C)CN1CC(CC(=O)NC(C)(C)c2ccccn2)(NC(=O)c2cc(-c3ccc(F)cc3F)on2)C1
• InChI: InChI=1S/C27H31F2N5O3/c1-17(2)14-34-15-27(16-34,13-24(35)31-26(3,4)23-7-5-6-10-30-23)32-25(36)21-12-22(37-33-21)19-9-8-18(28)11-20(19)29/h5-12,17H,13-16H2,1-4H3,(H,31,35)(H,32,36)
• InChIKey: UGZYQWFRTROSIA-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.57
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide (CID 166021578) is 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide is CC(C)CN1CC(CC(=O)NC(C)(C)c2ccccn2)(NC(=O)c2cc(-c3ccc(F)cc3F)on2)C1.

What is the InChIKey of 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is UGZYQWFRTROSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N5O3/c1-17(2)14-34-15-27(16-34,13-24(35)31-26(3,4)23-7-5-6-10-30-23)32-25(36)21-12-22(37-33-21)19-9-8-18(28)11-20(19)29/h5-12,17H,13-16H2,1-4H3,(H,31,35)(H,32,36).

What are the key properties of 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?

5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 511.57 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166021578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).