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

C28H23FN6O3 — CID 169423377

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C28H23FN6O3/c29-22-5-1-3-20(15-22)10-12-32-27(36)26(21-4-2-11-30-16-21)35(28(37)25-17-38-19-33-25)24-8-6-23(7-9-24)34-14-13-31-18-34/h1-9,11,13-19,26H,10,12H2,(H,32,36)
InChIKeyBRHOSBPLKOALFW-UHFFFAOYSA-N
MW510.53 g/mol
LogP4.14
Rot. Bonds9

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 169423377) has the molecular formula C28H23FN6O3 and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID169423377
Molecular FormulaC28H23FN6O3
Molecular Weight510.53 g/mol
Exact Mass510.18
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C28H23FN6O3/c29-22-5-1-3-20(15-22)10-12-32-27(36)26(21-4-2-11-30-16-21)35(28(37)25-17-38-19-33-25)24-8-6-23(7-9-24)34-14-13-31-18-34/h1-9,11,13-19,26H,10,12H2,(H,32,36)
InChIKeyBRHOSBPLKOALFW-UHFFFAOYSA-N
XLogP4.14
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-1,3-oxazole-4-carboxamide
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US11814384, Example 184
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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-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide (CID 169423377) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-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-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BRHOSBPLKOALFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O3/c29-22-5-1-3-20(15-22)10-12-32-27(36)26(21-4-2-11-30-16-21)35(28(37)25-17-38-19-33-25)24-8-6-23(7-9-24)34-14-13-31-18-34/h1-9,11,13-19,26H,10,12H2,(H,32,36).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 510.53 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 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-imidazol-1-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 169423377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).