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

C17H23N3O2 — CID 3721367

IUPAC2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCNC(=O)c1coc(-c2ccccc2N)n1
InChIInChI=1S/C17H23N3O2/c1-2-3-4-5-8-11-19-16(21)15-12-22-17(20-15)13-9-6-7-10-14(13)18/h6-7,9-10,12H,2-5,8,11,18H2,1H3,(H,19,21)
InChIKeyFWTMXSCLNXGIKW-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.62
Rot. Bonds8

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

2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide (PubChem CID 3721367) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide
PubChem CID3721367
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCNC(=O)c1coc(-c2ccccc2N)n1
InChIInChI=1S/C17H23N3O2/c1-2-3-4-5-8-11-19-16(21)15-12-22-17(20-15)13-9-6-7-10-14(13)18/h6-7,9-10,12H,2-5,8,11,18H2,1H3,(H,19,21)
InChIKeyFWTMXSCLNXGIKW-UHFFFAOYSA-N
XLogP3.62
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.62
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-(2-aminophenyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3295381
2-(2-aminophenyl)-N-octan-2-yl-1,3-oxazole-4-carboxamide
CID 3674790
2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide
CID 3286604
2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3468332
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3871049
2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5006646
2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3674009
2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide
CID 3431845
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845
2-amino-N-dodecylbenzamide
CID 54099396

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide (CID 3721367) is 2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide is CCCCCCCNC(=O)c1coc(-c2ccccc2N)n1.
What is the InChIKey of 2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide?
The InChIKey is FWTMXSCLNXGIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-3-4-5-8-11-19-16(21)15-12-22-17(20-15)13-9-6-7-10-14(13)18/h6-7,9-10,12H,2-5,8,11,18H2,1H3,(H,19,21).
What are the key properties of 2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide?
2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3721367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).