(2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C20H16ClF5N4O4 — CID 44580742

About (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

(2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 44580742) has the molecular formula C20H16ClF5N4O4 and a molecular weight of 506.82 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
• PubChem CID: 44580742
• Molecular Formula: C20H16ClF5N4O4
• Molecular Weight: 506.82 g/mol
• Exact Mass: 506.08
• IUPAC Name: (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
• SMILES: C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(-c2cc(Cl)cc(F)c2-c2noc(CO)n2)cc1F
• InChI: InChI=1S/C20H16ClF5N4O4/c1-8(28-18(32)19(2,33)20(24,25)26)16-13(23)3-9(6-27-16)11-4-10(21)5-12(22)15(11)17-29-14(7-31)34-30-17/h3-6,8,31,33H,7H2,1-2H3,(H,28,32)/t8-,19-/m1/s1
• InChIKey: IOCOFUSYVNUYNP-LILOVNGRSA-N
• XLogP: 3.71
• TPSA: 121.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.82
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?

The IUPAC name of (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 44580742) is (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

What is the SMILES notation for (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?

The canonical SMILES for (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(-c2cc(Cl)cc(F)c2-c2noc(CO)n2)cc1F.

What is the InChIKey of (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?

The InChIKey is IOCOFUSYVNUYNP-LILOVNGRSA-N. The full InChI is InChI=1S/C20H16ClF5N4O4/c1-8(28-18(32)19(2,33)20(24,25)26)16-13(23)3-9(6-27-16)11-4-10(21)5-12(22)15(11)17-29-14(7-31)34-30-17/h3-6,8,31,33H,7H2,1-2H3,(H,28,32)/t8-,19-/m1/s1.

What are the key properties of (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?

(2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 506.82 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 44580742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).