N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C19H14F3N5O3 — CID 122581672

About N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 122581672) has the molecular formula C19H14F3N5O3 and a molecular weight of 417.35 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 122581672
• Molecular Formula: C19H14F3N5O3
• Molecular Weight: 417.35 g/mol
• Exact Mass: 417.10
• IUPAC Name: N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: O=C(N[C@@H](CO)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1cn2ccccc2n1
• InChI: InChI=1S/C19H14F3N5O3/c20-19(21,22)12-5-3-4-11(8-12)16-25-18(30-26-16)14(10-28)24-17(29)13-9-27-7-2-1-6-15(27)23-13/h1-9,14,28H,10H2,(H,24,29)/t14-/m0/s1
• InChIKey: WGIDXCFFLNITPZ-AWEZNQCLSA-N
• XLogP: 2.87
• TPSA: 105.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.35
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 122581672) is N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@@H](CO)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1cn2ccccc2n1.

What is the InChIKey of N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is WGIDXCFFLNITPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H14F3N5O3/c20-19(21,22)12-5-3-4-11(8-12)16-25-18(30-26-16)14(10-28)24-17(29)13-9-27-7-2-1-6-15(27)23-13/h1-9,14,28H,10H2,(H,24,29)/t14-/m0/s1.

What are the key properties of N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 417.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 122581672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).