N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide

C27H23FN8O3 — CID 156906404

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906404) has the molecular formula C27H23FN8O3 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-(5-methyltetrazol-2-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-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 156906404
• Molecular Formula: C27H23FN8O3
• Molecular Weight: 526.53 g/mol
• Exact Mass: 526.19
• IUPAC Name: N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1nnn(-c2ccc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2)n1
• InChI: InChI=1S/C27H23FN8O3/c1-18-32-34-36(33-18)23-9-7-22(8-10-23)35(27(38)24-16-39-17-31-24)25(20-5-3-12-29-15-20)26(37)30-13-11-19-4-2-6-21(28)14-19/h2-10,12,14-17,25H,11,13H2,1H3,(H,30,37)
• InChIKey: WFOKUGVDOYWGSG-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 131.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.53
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-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-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 156906404) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-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-(5-methyltetrazol-2-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-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide is Cc1nnn(-c2ccc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2)n1.

What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide?

The InChIKey is WFOKUGVDOYWGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8O3/c1-18-32-34-36(33-18)23-9-7-22(8-10-23)35(27(38)24-16-39-17-31-24)25(20-5-3-12-29-15-20)26(37)30-13-11-19-4-2-6-21(28)14-19/h2-10,12,14-17,25H,11,13H2,1H3,(H,30,37).

What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide?

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 526.53 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 9 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-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).