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

C19H16ClN3O5 — CID 153386164

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccoc2Cl)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1
InChIInChI=1S/C19H16ClN3O5/c1-10-22-14(12-7-8-27-17(12)20)16(28-10)19(26)23-13(15(24)18(21)25)9-11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H2,21,25)(H,23,26)
InChIKeyUMAAGWDWMFKUJM-UHFFFAOYSA-N
MW401.81 g/mol
LogP2.29
Rot. Bonds7

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

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 153386164) has the molecular formula C19H16ClN3O5 and a molecular weight of 401.81 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID153386164
Molecular FormulaC19H16ClN3O5
Molecular Weight401.81 g/mol
Exact Mass401.08
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccoc2Cl)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1
InChIInChI=1S/C19H16ClN3O5/c1-10-22-14(12-7-8-27-17(12)20)16(28-10)19(26)23-13(15(24)18(21)25)9-11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H2,21,25)(H,23,26)
InChIKeyUMAAGWDWMFKUJM-UHFFFAOYSA-N
XLogP2.29
TPSA128.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide
CID 134397445
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
[4-[(2S)-4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate
CID 134397425
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-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 142753794
lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(1-benzothiophen-4-yl)-2-methyl-1,3-oxazole-5-carboxamide;1-benzothiophene-4-carboxylic acid;bis(ethyl 4-(1-benzothiophen-4-yl)-2-methyl-1,3-oxazole-5-carboxylate);hydroxide
CID 158915385
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2-methylfuran-3-yl)pyrazole-4-carboxamide
CID 155479055
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide
CID 147683869
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-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 134397788
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide
CID 142317186

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide (CID 153386164) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccoc2Cl)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is UMAAGWDWMFKUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5/c1-10-22-14(12-7-8-27-17(12)20)16(28-10)19(26)23-13(15(24)18(21)25)9-11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H2,21,25)(H,23,26).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 401.81 g/mol, XLogP of 2.29, 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)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 153386164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).