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

C25H27FN4O3 — CID 156906591

IUPACN-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCCCC1
InChIInChI=1S/C25H27FN4O3/c26-20-8-4-6-18(14-20)11-13-28-24(31)23(19-7-5-12-27-15-19)30(21-9-2-1-3-10-21)25(32)22-16-33-17-29-22/h4-8,12,14-17,21,23H,1-3,9-11,13H2,(H,28,31)
InChIKeyGCPKISBVNZMDPT-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.08
Rot. Bonds8

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

N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906591) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906591
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC NameN-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCCCC1
InChIInChI=1S/C25H27FN4O3/c26-20-8-4-6-18(14-20)11-13-28-24(31)23(19-7-5-12-27-15-19)30(21-9-2-1-3-10-21)25(32)22-16-33-17-29-22/h4-8,12,14-17,21,23H,1-3,9-11,13H2,(H,28,31)
InChIKeyGCPKISBVNZMDPT-UHFFFAOYSA-N
XLogP4.08
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906591) is N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GCPKISBVNZMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c26-20-8-4-6-18(14-20)11-13-28-24(31)23(19-7-5-12-27-15-19)30(21-9-2-1-3-10-21)25(32)22-16-33-17-29-22/h4-8,12,14-17,21,23H,1-3,9-11,13H2,(H,28,31).
What are the key properties of N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).