3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide

C25H27F5N6O4 — CID 171790532

About 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide

3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 171790532) has the molecular formula C25H27F5N6O4 and a molecular weight of 570.52 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 171790532
• Molecular Formula: C25H27F5N6O4
• Molecular Weight: 570.52 g/mol
• Exact Mass: 570.20
• IUPAC Name: 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide
• SMILES: O=C(N[C@H](C(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1)C1CCC(F)(F)CC1)c1conc1C1CC1
• InChI: InChI=1S/C25H27F5N6O4/c26-24(27)6-3-15(4-7-24)20(34-21(37)16-12-40-35-19(16)14-1-2-14)22(38)33-18-9-13(5-8-31-18)10-36-11-17(25(28,29)30)32-23(36)39/h5,8-9,12,14-15,17,20H,1-4,6-7,10-11H2,(H,32,39)(H,34,37)(H,31,33,38)/t17-,20-/m0/s1
• InChIKey: KCGUZSNCNDIFRG-PXNSSMCTSA-N
• XLogP: 3.97
• TPSA: 129.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.52
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide (CID 171790532) is 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide is O=C(N[C@H](C(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1)C1CCC(F)(F)CC1)c1conc1C1CC1.

What is the InChIKey of 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide?

The InChIKey is KCGUZSNCNDIFRG-PXNSSMCTSA-N. The full InChI is InChI=1S/C25H27F5N6O4/c26-24(27)6-3-15(4-7-24)20(34-21(37)16-12-40-35-19(16)14-1-2-14)22(38)33-18-9-13(5-8-31-18)10-36-11-17(25(28,29)30)32-23(36)39/h5,8-9,12,14-15,17,20H,1-4,6-7,10-11H2,(H,32,39)(H,34,37)(H,31,33,38)/t17-,20-/m0/s1.

What are the key properties of 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide?

3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 570.52 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 171790532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).