5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide

C16H12F3N3O4 — CID 123214019

About 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide

5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide (PubChem CID 123214019) has the molecular formula C16H12F3N3O4 and a molecular weight of 367.28 g/mol. Its IUPAC name is 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide
• PubChem CID: 123214019
• Molecular Formula: C16H12F3N3O4
• Molecular Weight: 367.28 g/mol
• Exact Mass: 367.08
• IUPAC Name: 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide
• SMILES: NC(=O)c1cncc(OC2=C[C@@H](c3ccc(OC(F)(F)F)cc3)ON2)c1
• InChI: InChI=1S/C16H12F3N3O4/c17-16(18,19)25-11-3-1-9(2-4-11)13-6-14(22-26-13)24-12-5-10(15(20)23)7-21-8-12/h1-8,13,22H,(H2,20,23)/t13-/m0/s1
• InChIKey: QQNZCHJXZKKYGM-ZDUSSCGKSA-N
• XLogP: 2.58
• TPSA: 95.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.28
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide?

The IUPAC name of 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide (CID 123214019) is 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide.

What is the SMILES notation for 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide?

The canonical SMILES for 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide is NC(=O)c1cncc(OC2=C[C@@H](c3ccc(OC(F)(F)F)cc3)ON2)c1.

What is the InChIKey of 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide?

The InChIKey is QQNZCHJXZKKYGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12F3N3O4/c17-16(18,19)25-11-3-1-9(2-4-11)13-6-14(22-26-13)24-12-5-10(15(20)23)7-21-8-12/h1-8,13,22H,(H2,20,23)/t13-/m0/s1.

What are the key properties of 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide?

5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 123214019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).