N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

C19H16N4O4 — CID 153385951

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1cccnc1
InChIInChI=1S/C19H16N4O4/c20-18(25)17(24)15(9-12-5-2-1-3-6-12)22-19(26)14-11-27-23-16(14)13-7-4-8-21-10-13/h1-8,10-11,15H,9H2,(H2,20,25)(H,22,26)
InChIKeyJIPKFQFVERZWST-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.13
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 153385951) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID153385951
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1cccnc1
InChIInChI=1S/C19H16N4O4/c20-18(25)17(24)15(9-12-5-2-1-3-6-12)22-19(26)14-11-27-23-16(14)13-7-4-8-21-10-13/h1-8,10-11,15H,9H2,(H2,20,25)(H,22,26)
InChIKeyJIPKFQFVERZWST-UHFFFAOYSA-N
XLogP1.13
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (CID 153385951) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1cccnc1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is JIPKFQFVERZWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c20-18(25)17(24)15(9-12-5-2-1-3-6-12)22-19(26)14-11-27-23-16(14)13-7-4-8-21-10-13/h1-8,10-11,15H,9H2,(H2,20,25)(H,22,26).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 153385951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).