N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide

C28H23FN6O4 — CID 156906406

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906406) has the molecular formula C28H23FN6O4 and a molecular weight of 526.53 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 156906406
• Molecular Formula: C28H23FN6O4
• Molecular Weight: 526.53 g/mol
• Exact Mass: 526.18
• IUPAC Name: N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
• SMILES: O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(-n2cc[nH]c2=O)cc1
• InChI: InChI=1S/C28H23FN6O4/c29-21-5-1-3-19(15-21)10-12-31-26(36)25(20-4-2-11-30-16-20)35(27(37)24-17-39-18-33-24)23-8-6-22(7-9-23)34-14-13-32-28(34)38/h1-9,11,13-18,25H,10,12H2,(H,31,36)(H,32,38)
• InChIKey: YRGNKHXSBDLPGV-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 126.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.53
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 156906406) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(-n2cc[nH]c2=O)cc1.

What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide?

The InChIKey is YRGNKHXSBDLPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O4/c29-21-5-1-3-19(15-21)10-12-31-26(36)25(20-4-2-11-30-16-20)35(27(37)24-17-39-18-33-24)23-8-6-22(7-9-23)34-14-13-32-28(34)38/h1-9,11,13-18,25H,10,12H2,(H,31,36)(H,32,38).

What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide?

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 526.53 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).