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

C28H26FN5O5 — CID 169423375

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCO)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C28H26FN5O5/c29-22-5-1-3-19(15-22)10-12-31-27(37)25(21-4-2-11-30-16-21)34(28(38)24-17-39-18-33-24)23-8-6-20(7-9-23)26(36)32-13-14-35/h1-9,11,15-18,25,35H,10,12-14H2,(H,31,37)(H,32,36)
InChIKeyGROFCNDXEZLAGM-UHFFFAOYSA-N
MW531.54 g/mol
LogP2.68
Rot. Bonds11

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 169423375) has the molecular formula C28H26FN5O5 and a molecular weight of 531.54 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID169423375
Molecular FormulaC28H26FN5O5
Molecular Weight531.54 g/mol
Exact Mass531.19
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCO)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C28H26FN5O5/c29-22-5-1-3-19(15-22)10-12-31-27(37)25(21-4-2-11-30-16-21)34(28(38)24-17-39-18-33-24)23-8-6-20(7-9-23)26(36)32-13-14-35/h1-9,11,15-18,25,35H,10,12-14H2,(H,31,37)(H,32,36)
InChIKeyGROFCNDXEZLAGM-UHFFFAOYSA-N
XLogP2.68
TPSA137.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.54
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-[4-(2-hydroxyethylcarbamoyl)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-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide (CID 169423375) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-hydroxyethylcarbamoyl)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-hydroxyethylcarbamoyl)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-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(NCCO)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GROFCNDXEZLAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O5/c29-22-5-1-3-19(15-22)10-12-31-27(37)25(21-4-2-11-30-16-21)34(28(38)24-17-39-18-33-24)23-8-6-20(7-9-23)26(36)32-13-14-35/h1-9,11,15-18,25,35H,10,12-14H2,(H,31,37)(H,32,36).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 531.54 g/mol, XLogP of 2.68, 11 rotatable bonds, 3 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-hydroxyethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 169423375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).