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

C25H21FN4O3 — CID 156906605

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccccc1
InChIInChI=1S/C25H21FN4O3/c26-20-8-4-6-18(14-20)11-13-28-24(31)23(19-7-5-12-27-15-19)30(21-9-2-1-3-10-21)25(32)22-16-33-17-29-22/h1-10,12,14-17,23H,11,13H2,(H,28,31)
InChIKeyNGNMIIYBBLGTTG-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.96
Rot. Bonds8

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 156906605) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide
PubChem CID156906605
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccccc1
InChIInChI=1S/C25H21FN4O3/c26-20-8-4-6-18(14-20)11-13-28-24(31)23(19-7-5-12-27-15-19)30(21-9-2-1-3-10-21)25(32)22-16-33-17-29-22/h1-10,12,14-17,23H,11,13H2,(H,28,31)
InChIKeyNGNMIIYBBLGTTG-UHFFFAOYSA-N
XLogP3.96
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide (CID 156906605) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-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-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccccc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is NGNMIIYBBLGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c26-20-8-4-6-18(14-20)11-13-28-24(31)23(19-7-5-12-27-15-19)30(21-9-2-1-3-10-21)25(32)22-16-33-17-29-22/h1-10,12,14-17,23H,11,13H2,(H,28,31).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).