N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide

C21H19N3O4 — CID 147683869

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1
InChIInChI=1S/C21H19N3O4/c1-13-17(15-10-6-3-7-11-15)19(28-24-13)21(27)23-16(18(25)20(22)26)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,22,26)(H,23,27)
InChIKeyGPQJAORMKUCTKT-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.05
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 147683869) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide
PubChem CID147683869
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1
InChIInChI=1S/C21H19N3O4/c1-13-17(15-10-6-3-7-11-15)19(28-24-13)21(27)23-16(18(25)20(22)26)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,22,26)(H,23,27)
InChIKeyGPQJAORMKUCTKT-UHFFFAOYSA-N
XLogP2.05
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide
CID 153385801
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 142317072
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 134397018
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
CID 134397603
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 134397788
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 142753650
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
CID 162475674
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
CID 14957307
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 153386164
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-2-phenylimidazole-1-carboxamide
CID 153484005

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide (CID 147683869) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is GPQJAORMKUCTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13-17(15-10-6-3-7-11-15)19(28-24-13)21(27)23-16(18(25)20(22)26)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 147683869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).