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

C28H26FN5O4 — CID 169423376

IUPACN-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C28H26FN5O4/c1-2-31-26(35)20-8-10-23(11-9-20)34(28(37)24-17-38-18-33-24)25(21-6-4-13-30-16-21)27(36)32-14-12-19-5-3-7-22(29)15-19/h3-11,13,15-18,25H,2,12,14H2,1H3,(H,31,35)(H,32,36)
InChIKeyJJHFPDNHCCVMEU-UHFFFAOYSA-N
MW515.55 g/mol
LogP3.71
Rot. Bonds10

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

N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 169423376) has the molecular formula C28H26FN5O4 and a molecular weight of 515.55 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID169423376
Molecular FormulaC28H26FN5O4
Molecular Weight515.55 g/mol
Exact Mass515.20
IUPAC NameN-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C28H26FN5O4/c1-2-31-26(35)20-8-10-23(11-9-20)34(28(37)24-17-38-18-33-24)25(21-6-4-13-30-16-21)27(36)32-14-12-19-5-3-7-22(29)15-19/h3-11,13,15-18,25H,2,12,14H2,1H3,(H,31,35)(H,32,36)
InChIKeyJJHFPDNHCCVMEU-UHFFFAOYSA-N
XLogP3.71
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 169423376) is N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is CCNC(=O)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1.
What is the InChIKey of N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JJHFPDNHCCVMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O4/c1-2-31-26(35)20-8-10-23(11-9-20)34(28(37)24-17-38-18-33-24)25(21-6-4-13-30-16-21)27(36)32-14-12-19-5-3-7-22(29)15-19/h3-11,13,15-18,25H,2,12,14H2,1H3,(H,31,35)(H,32,36).
What are the key properties of N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 515.55 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)phenyl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 169423376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).