2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide

C19H23N5O2 — CID 3286604

IUPAC2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCNC(=O)c1coc(-c2cnn(-c3ccccc3)c2N)n1
InChIInChI=1S/C19H23N5O2/c1-2-3-4-8-11-21-18(25)16-13-26-19(23-16)15-12-22-24(17(15)20)14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4,8,11,20H2,1H3,(H,21,25)
InChIKeyLZSHAZDSKXXIDH-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.42
Rot. Bonds8

About 2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide

2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide (PubChem CID 3286604) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide
PubChem CID3286604
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCNC(=O)c1coc(-c2cnn(-c3ccccc3)c2N)n1
InChIInChI=1S/C19H23N5O2/c1-2-3-4-8-11-21-18(25)16-13-26-19(23-16)15-12-22-24(17(15)20)14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4,8,11,20H2,1H3,(H,21,25)
InChIKeyLZSHAZDSKXXIDH-UHFFFAOYSA-N
XLogP3.42
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
2-(2-aminophenyl)-N-octan-2-yl-1,3-oxazole-4-carboxamide
CID 3674790
2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide
CID 159322008
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
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-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide (CID 3286604) is 2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide is CCCCCCNC(=O)c1coc(-c2cnn(-c3ccccc3)c2N)n1.
What is the InChIKey of 2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide?
The InChIKey is LZSHAZDSKXXIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-2-3-4-8-11-21-18(25)16-13-26-19(23-16)15-12-22-24(17(15)20)14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4,8,11,20H2,1H3,(H,21,25).
What are the key properties of 2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide?
2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3286604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).