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

C28H27FN4O4 — CID 156906590

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)Oc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C28H27FN4O4/c1-19(2)37-24-10-8-23(9-11-24)33(28(35)25-17-36-18-32-25)26(21-6-4-13-30-16-21)27(34)31-14-12-20-5-3-7-22(29)15-20/h3-11,13,15-19,26H,12,14H2,1-2H3,(H,31,34)
InChIKeySLIIUFPUFZWQJW-UHFFFAOYSA-N
MW502.55 g/mol
LogP4.74
Rot. Bonds10

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 156906590) has the molecular formula C28H27FN4O4 and a molecular weight of 502.55 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID156906590
Molecular FormulaC28H27FN4O4
Molecular Weight502.55 g/mol
Exact Mass502.20
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)Oc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C28H27FN4O4/c1-19(2)37-24-10-8-23(9-11-24)33(28(35)25-17-36-18-32-25)26(21-6-4-13-30-16-21)27(34)31-14-12-20-5-3-7-22(29)15-20/h3-11,13,15-19,26H,12,14H2,1-2H3,(H,31,34)
InChIKeySLIIUFPUFZWQJW-UHFFFAOYSA-N
XLogP4.74
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide (CID 156906590) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-yloxyphenyl)-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-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide is CC(C)Oc1ccc(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-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SLIIUFPUFZWQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O4/c1-19(2)37-24-10-8-23(9-11-24)33(28(35)25-17-36-18-32-25)26(21-6-4-13-30-16-21)27(34)31-14-12-20-5-3-7-22(29)15-20/h3-11,13,15-19,26H,12,14H2,1-2H3,(H,31,34).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 502.55 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 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-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).