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

C26H23FN4O3 — CID 156906604

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C26H23FN4O3/c1-18-7-9-22(10-8-18)31(26(33)23-16-34-17-30-23)24(20-5-3-12-28-15-20)25(32)29-13-11-19-4-2-6-21(27)14-19/h2-10,12,14-17,24H,11,13H2,1H3,(H,29,32)
InChIKeyIAUUHGWQXDVIAZ-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.26
Rot. Bonds8

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 156906604) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID156906604
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C26H23FN4O3/c1-18-7-9-22(10-8-18)31(26(33)23-16-34-17-30-23)24(20-5-3-12-28-15-20)25(32)29-13-11-19-4-2-6-21(27)14-19/h2-10,12,14-17,24H,11,13H2,1H3,(H,29,32)
InChIKeyIAUUHGWQXDVIAZ-UHFFFAOYSA-N
XLogP4.26
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.26
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-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 156906604) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-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-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(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-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IAUUHGWQXDVIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-18-7-9-22(10-8-18)31(26(33)23-16-34-17-30-23)24(20-5-3-12-28-15-20)25(32)29-13-11-19-4-2-6-21(27)14-19/h2-10,12,14-17,24H,11,13H2,1H3,(H,29,32).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 4.26, 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-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).