3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine

C17H25N3O — CID 80522271

IUPAC3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESCCCCCCCCCc1noc(N)c1-c1ccccn1
InChIInChI=1S/C17H25N3O/c1-2-3-4-5-6-7-8-12-15-16(17(18)21-20-15)14-11-9-10-13-19-14/h9-11,13H,2-8,12,18H2,1H3
InChIKeyPRUZAQAIZDOZHC-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.61
Rot. Bonds9

About 3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine

3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine (PubChem CID 80522271) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine
PubChem CID80522271
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESCCCCCCCCCc1noc(N)c1-c1ccccn1
InChIInChI=1S/C17H25N3O/c1-2-3-4-5-6-7-8-12-15-16(17(18)21-20-15)14-11-9-10-13-19-14/h9-11,13H,2-8,12,18H2,1H3
InChIKeyPRUZAQAIZDOZHC-UHFFFAOYSA-N
XLogP4.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521081
4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43157921
3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 65428658
4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine
CID 114753015
3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62503085
1-methyl-3-pentyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521039
4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
CID 114753024
2-(5-tridecylthiophen-2-yl)pyridine
CID 24787944
2-octylpyridin-3-amine
CID 23131469
2-(2-octylphenyl)pyridine
CID 15643012
2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 82089595

Frequently Asked Questions

What is the IUPAC name of 3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine (CID 80522271) is 3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine is CCCCCCCCCc1noc(N)c1-c1ccccn1.
What is the InChIKey of 3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine?
The InChIKey is PRUZAQAIZDOZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-3-4-5-6-7-8-12-15-16(17(18)21-20-15)14-11-9-10-13-19-14/h9-11,13H,2-8,12,18H2,1H3.
What are the key properties of 3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine?
3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine has a molecular weight of 287.41 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80522271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).