2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide

C20H20N4O3 — CID 3854955

IUPAC2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)co2)cc1
InChIInChI=1S/C20H20N4O3/c21-15-3-1-14(2-4-15)20-23-18(13-27-20)19(25)22-16-5-7-17(8-6-16)24-9-11-26-12-10-24/h1-8,13H,9-12,21H2,(H,22,25)
InChIKeyCDOCPZZMVGAHMC-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.01
Rot. Bonds4

About 2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide

2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3854955) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3854955
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)co2)cc1
InChIInChI=1S/C20H20N4O3/c21-15-3-1-14(2-4-15)20-23-18(13-27-20)19(25)22-16-5-7-17(8-6-16)24-9-11-26-12-10-24/h1-8,13H,9-12,21H2,(H,22,25)
InChIKeyCDOCPZZMVGAHMC-UHFFFAOYSA-N
XLogP3.01
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3275344
2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3261325
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
CID 84553160
2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3710412
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 36867179
2-[(1S)-1-aminoethyl]-N-[(2R)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide
CID 141228350
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781225
2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3835810
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide (CID 3854955) is 2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide is Nc1ccc(-c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)co2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CDOCPZZMVGAHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c21-15-3-1-14(2-4-15)20-23-18(13-27-20)19(25)22-16-5-7-17(8-6-16)24-9-11-26-12-10-24/h1-8,13H,9-12,21H2,(H,22,25).
What are the key properties of 2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide?
2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3854955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).