N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C24H28N4O4 — CID 156906526

IUPACN-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCOCCNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H28N4O4/c1-24(2,3)18-7-9-19(10-8-18)28(23(30)20-15-32-16-27-20)21(17-6-5-11-25-14-17)22(29)26-12-13-31-4/h5-11,14-16,21H,12-13H2,1-4H3,(H,26,29)
InChIKeyYSTGZYMKNTUESF-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.52
Rot. Bonds8

About N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906526) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906526
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCOCCNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H28N4O4/c1-24(2,3)18-7-9-19(10-8-18)28(23(30)20-15-32-16-27-20)21(17-6-5-11-25-14-17)22(29)26-12-13-31-4/h5-11,14-16,21H,12-13H2,1-4H3,(H,26,29)
InChIKeyYSTGZYMKNTUESF-UHFFFAOYSA-N
XLogP3.52
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906526) is N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is COCCNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YSTGZYMKNTUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(2,3)18-7-9-19(10-8-18)28(23(30)20-15-32-16-27-20)21(17-6-5-11-25-14-17)22(29)26-12-13-31-4/h5-11,14-16,21H,12-13H2,1-4H3,(H,26,29).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).