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

C19H17N5O4 — CID 153385801

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccncn1
InChIInChI=1S/C19H17N5O4/c1-11-15(13-7-8-21-10-22-13)17(28-24-11)19(27)23-14(16(25)18(20)26)9-12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3,(H2,20,26)(H,23,27)
InChIKeyBCCZAOVIWWAZMC-UHFFFAOYSA-N
MW379.38 g/mol
LogP0.84
Rot. Bonds7

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

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide (PubChem CID 153385801) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide
PubChem CID153385801
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccncn1
InChIInChI=1S/C19H17N5O4/c1-11-15(13-7-8-21-10-22-13)17(28-24-11)19(27)23-14(16(25)18(20)26)9-12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3,(H2,20,26)(H,23,27)
InChIKeyBCCZAOVIWWAZMC-UHFFFAOYSA-N
XLogP0.84
TPSA141.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide
CID 147683869
3-[(1-methyl-3-pyrimidin-4-ylpyrazole-4-carbonyl)amino]-2-oxo-4-phenylbutanoic acid
CID 153385879
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385922
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 142317072
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide
CID 134397445
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 134397018
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)-2-bromobenzamide
CID 162475674
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-3-methyl-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153385251
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)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
CID 153484149

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide (CID 153385801) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccncn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide?
The InChIKey is BCCZAOVIWWAZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-11-15(13-7-8-21-10-22-13)17(28-24-11)19(27)23-14(16(25)18(20)26)9-12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3,(H2,20,26)(H,23,27).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-pyrimidin-4-yl-1,2-oxazole-5-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyrimidin-4-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 153385801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).