N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C26H26FN5O4 — CID 156906391

IUPACN-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1cnc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)o1
InChIInChI=1S/C26H26FN5O4/c1-26(2,3)21-14-30-25(36-21)32(24(34)20-15-35-16-31-20)22(18-7-5-10-28-13-18)23(33)29-11-9-17-6-4-8-19(27)12-17/h4-8,10,12-16,22H,9,11H2,1-3H3,(H,29,33)
InChIKeyISYQGYABPRUSER-UHFFFAOYSA-N
MW491.52 g/mol
LogP4.24
Rot. Bonds8

About N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906391) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906391
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC NameN-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1cnc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)o1
InChIInChI=1S/C26H26FN5O4/c1-26(2,3)21-14-30-25(36-21)32(24(34)20-15-35-16-31-20)22(18-7-5-10-28-13-18)23(33)29-11-9-17-6-4-8-19(27)12-17/h4-8,10,12-16,22H,9,11H2,1-3H3,(H,29,33)
InChIKeyISYQGYABPRUSER-UHFFFAOYSA-N
XLogP4.24
TPSA114.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906391) is N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is CC(C)(C)c1cnc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)o1.
What is the InChIKey of N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ISYQGYABPRUSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4/c1-26(2,3)21-14-30-25(36-21)32(24(34)20-15-35-16-31-20)22(18-7-5-10-28-13-18)23(33)29-11-9-17-6-4-8-19(27)12-17/h4-8,10,12-16,22H,9,11H2,1-3H3,(H,29,33).
What are the key properties of N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 491.52 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).