N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide

C20H18N4O4 — CID 153386152

IUPACN-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESNC(=O)C(=O)C(CCc1ccccc1)NC(=O)c1cnoc1-c1ccccn1
InChIInChI=1S/C20H18N4O4/c21-19(26)17(25)15(10-9-13-6-2-1-3-7-13)24-20(27)14-12-23-28-18(14)16-8-4-5-11-22-16/h1-8,11-12,15H,9-10H2,(H2,21,26)(H,24,27)
InChIKeyJQSXDWMPWDEIGJ-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.52
Rot. Bonds8

About N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide

N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 153386152) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide
PubChem CID153386152
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESNC(=O)C(=O)C(CCc1ccccc1)NC(=O)c1cnoc1-c1ccccn1
InChIInChI=1S/C20H18N4O4/c21-19(26)17(25)15(10-9-13-6-2-1-3-7-13)24-20(27)14-12-23-28-18(14)16-8-4-5-11-22-16/h1-8,11-12,15H,9-10H2,(H2,21,26)(H,24,27)
InChIKeyJQSXDWMPWDEIGJ-UHFFFAOYSA-N
XLogP1.52
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide
CID 153043553
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 153385966
N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
CID 68725551
acetylene;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazole-4-carboxamide
CID 153385918
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 147899427
N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 148741054
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 148993865
N-[1-amino-5-(furan-3-yl)-1,2-dioxopentan-3-yl]-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385833
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 146702892
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide
CID 153484047
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide (CID 153386152) is N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide is NC(=O)C(=O)C(CCc1ccccc1)NC(=O)c1cnoc1-c1ccccn1.
What is the InChIKey of N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is JQSXDWMPWDEIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c21-19(26)17(25)15(10-9-13-6-2-1-3-7-13)24-20(27)14-12-23-28-18(14)16-8-4-5-11-22-16/h1-8,11-12,15H,9-10H2,(H2,21,26)(H,24,27).
What are the key properties of N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide?
N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 153386152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).