N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

C23H27N3O2 — CID 59420452

IUPACN-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(CC(=O)Nc2ccc(CCc3ccc(N)cc3)cc2)no1
InChIInChI=1S/C23H27N3O2/c1-23(2,3)21-14-20(26-28-21)15-22(27)25-19-12-8-17(9-13-19)5-4-16-6-10-18(24)11-7-16/h6-14H,4-5,15,24H2,1-3H3,(H,25,27)
InChIKeyRNYZARRQLQAJKY-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.52
Rot. Bonds6

About N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (PubChem CID 59420452) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
PubChem CID59420452
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(CC(=O)Nc2ccc(CCc3ccc(N)cc3)cc2)no1
InChIInChI=1S/C23H27N3O2/c1-23(2,3)21-14-20(26-28-21)15-22(27)25-19-12-8-17(9-13-19)5-4-16-6-10-18(24)11-7-16/h6-14H,4-5,15,24H2,1-3H3,(H,25,27)
InChIKeyRNYZARRQLQAJKY-UHFFFAOYSA-N
XLogP4.52
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]benzamide
CID 157354211
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
5-tert-butyl-3-[2-(4-iodophenyl)ethyl]-1,2-oxazole
CID 143052923
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
N-[4-[4-amino-3-[4-(cyclopropylsulfonylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 157314908
2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide
CID 119769638
(4Z)-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-3-methyl-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine-6-carboxamide
CID 143053400
N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide
CID 22612940
5-butyl-N-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 59420451
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (CID 59420452) is N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is CC(C)(C)c1cc(CC(=O)Nc2ccc(CCc3ccc(N)cc3)cc2)no1.
What is the InChIKey of N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RNYZARRQLQAJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-23(2,3)21-14-20(26-28-21)15-22(27)25-19-12-8-17(9-13-19)5-4-16-6-10-18(24)11-7-16/h6-14H,4-5,15,24H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 59420452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).