N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide

C24H24N4O4 — CID 71554698

IUPACN-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide
SMILESCC(C)(C)c1ccc(-n2cccc(C(O)C(=O)Nc3ccc4c(N)noc4c3)c2=O)cc1
InChIInChI=1S/C24H24N4O4/c1-24(2,3)14-6-9-16(10-7-14)28-12-4-5-18(23(28)31)20(29)22(30)26-15-8-11-17-19(13-15)32-27-21(17)25/h4-13,20,29H,1-3H3,(H2,25,27)(H,26,30)
InChIKeyJUQNBYNLXVRFQQ-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.53
Rot. Bonds4

About N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide

N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide (PubChem CID 71554698) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide
PubChem CID71554698
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide
SMILESCC(C)(C)c1ccc(-n2cccc(C(O)C(=O)Nc3ccc4c(N)noc4c3)c2=O)cc1
InChIInChI=1S/C24H24N4O4/c1-24(2,3)14-6-9-16(10-7-14)28-12-4-5-18(23(28)31)20(29)22(30)26-15-8-11-17-19(13-15)32-27-21(17)25/h4-13,20,29H,1-3H3,(H2,25,27)(H,26,30)
InChIKeyJUQNBYNLXVRFQQ-UHFFFAOYSA-N
XLogP3.53
TPSA123.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide?
The IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide (CID 71554698) is N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide.
What is the SMILES notation for N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide?
The canonical SMILES for N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide is CC(C)(C)c1ccc(-n2cccc(C(O)C(=O)Nc3ccc4c(N)noc4c3)c2=O)cc1.
What is the InChIKey of N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide?
The InChIKey is JUQNBYNLXVRFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-24(2,3)14-6-9-16(10-7-14)28-12-4-5-18(23(28)31)20(29)22(30)26-15-8-11-17-19(13-15)32-27-21(17)25/h4-13,20,29H,1-3H3,(H2,25,27)(H,26,30).
What are the key properties of N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide?
N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide has a molecular weight of 432.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,2-benzoxazol-6-yl)-2-[1-(4-tert-butylphenyl)-2-oxo-3-pyridinyl]-2-hydroxyacetamide is sourced from PubChem (CID 71554698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).