2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide

C23H20N4O2 — CID 3859588

IUPAC2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1ccc(Cc2ccc(NC(=O)c3coc(-c4ccccc4N)n3)cc2)cc1
InChIInChI=1S/C23H20N4O2/c24-17-9-5-15(6-10-17)13-16-7-11-18(12-8-16)26-22(28)21-14-29-23(27-21)19-3-1-2-4-20(19)25/h1-12,14H,13,24-25H2,(H,26,28)
InChIKeyKVUDYKJEFQNLAU-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.35
Rot. Bonds5

About 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide

2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 3859588) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID3859588
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1ccc(Cc2ccc(NC(=O)c3coc(-c4ccccc4N)n3)cc2)cc1
InChIInChI=1S/C23H20N4O2/c24-17-9-5-15(6-10-17)13-16-7-11-18(12-8-16)26-22(28)21-14-29-23(27-21)19-3-1-2-4-20(19)25/h1-12,14H,13,24-25H2,(H,26,28)
InChIKeyKVUDYKJEFQNLAU-UHFFFAOYSA-N
XLogP4.35
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-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

2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3674009
2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3468332
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3860536
2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide
CID 3431845
2-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3597833
2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3721367
2-(2-aminophenyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3295381
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
2-(2-aminophenyl)-N-octan-2-yl-1,3-oxazole-4-carboxamide
CID 3674790
2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5006646
N-[4-(pyridin-4-ylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553376

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide (CID 3859588) is 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide is Nc1ccc(Cc2ccc(NC(=O)c3coc(-c4ccccc4N)n3)cc2)cc1.
What is the InChIKey of 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KVUDYKJEFQNLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c24-17-9-5-15(6-10-17)13-16-7-11-18(12-8-16)26-22(28)21-14-29-23(27-21)19-3-1-2-4-20(19)25/h1-12,14H,13,24-25H2,(H,26,28).
What are the key properties of 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide?
2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3859588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).