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

C26H41N3O2 — CID 3847962

IUPAC2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1coc(-c2ccc(N)cc2)n1
InChIInChI=1S/C26H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-25(30)24-21-31-26(29-24)22-16-18-23(27)19-17-22/h16-19,21H,2-15,20,27H2,1H3,(H,28,30)
InChIKeyHLAJDMOUGYVMPP-UHFFFAOYSA-N
MW427.63 g/mol
LogP7.13
Rot. Bonds17

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

2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide (PubChem CID 3847962) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
PubChem CID3847962
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC Name2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1coc(-c2ccc(N)cc2)n1
InChIInChI=1S/C26H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-25(30)24-21-31-26(29-24)22-16-18-23(27)19-17-22/h16-19,21H,2-15,20,27H2,1H3,(H,28,30)
InChIKeyHLAJDMOUGYVMPP-UHFFFAOYSA-N
XLogP7.13
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3864472
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-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
CID 3872955
2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide
CID 3286604
2-(4-aminophenyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3871183
2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 5165501
2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3812541
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide (CID 3847962) is 2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide is CCCCCCCCCCCCCCCCNC(=O)c1coc(-c2ccc(N)cc2)n1.
What is the InChIKey of 2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide?
The InChIKey is HLAJDMOUGYVMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-25(30)24-21-31-26(29-24)22-16-18-23(27)19-17-22/h16-19,21H,2-15,20,27H2,1H3,(H,28,30).
What are the key properties of 2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide?
2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide has a molecular weight of 427.63 g/mol, XLogP of 7.13, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3847962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).