methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate

C19H19N3O4 — CID 90734135

IUPACmethyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate
SMILESCOC(=O)CC(C(=O)c1cc(C)on1)(c1ccc(N)cc1)c1ccc[nH]1
InChIInChI=1S/C19H19N3O4/c1-12-10-15(22-26-12)18(24)19(11-17(23)25-2,16-4-3-9-21-16)13-5-7-14(20)8-6-13/h3-10,21H,11,20H2,1-2H3
InChIKeyWEBFUYZZAZWDDN-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.63
Rot. Bonds6

About methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate

methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate (PubChem CID 90734135) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate
PubChem CID90734135
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namemethyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate
SMILESCOC(=O)CC(C(=O)c1cc(C)on1)(c1ccc(N)cc1)c1ccc[nH]1
InChIInChI=1S/C19H19N3O4/c1-12-10-15(22-26-12)18(24)19(11-17(23)25-2,16-4-3-9-21-16)13-5-7-14(20)8-6-13/h3-10,21H,11,20H2,1-2H3
InChIKeyWEBFUYZZAZWDDN-UHFFFAOYSA-N
XLogP2.63
TPSA111.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate 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

1-O-ethyl 5-O-methyl 2-ethyl-2-(1H-pyrrol-2-yl)pentanedioate
CID 122208642
N-[2-(4-aminophenoxy)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 63237844
2-(4-aminophenyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 80556831
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate
CID 97095472
5-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61090906
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
methyl 2-bromo-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 103492671
silver (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
CID 4164477
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate?
The IUPAC name of methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate (CID 90734135) is methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate.
What is the SMILES notation for methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate?
The canonical SMILES for methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate is COC(=O)CC(C(=O)c1cc(C)on1)(c1ccc(N)cc1)c1ccc[nH]1.
What is the InChIKey of methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate?
The InChIKey is WEBFUYZZAZWDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-10-15(22-26-12)18(24)19(11-17(23)25-2,16-4-3-9-21-16)13-5-7-14(20)8-6-13/h3-10,21H,11,20H2,1-2H3.
What are the key properties of methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate?
methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate has a molecular weight of 353.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-aminophenyl)-4-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-(1H-pyrrol-2-yl)butanoate is sourced from PubChem (CID 90734135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).