4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine

C16H20N2O3 — CID 114753024

IUPAC4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
SMILESCCCCCCc1noc(N)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C16H20N2O3/c1-2-3-4-5-6-12-15(16(17)21-18-12)11-7-8-13-14(9-11)20-10-19-13/h7-9H,2-6,10,17H2,1H3
InChIKeyGOKUBIOEKQMKKP-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.78
Rot. Bonds6

About 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine

4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine (PubChem CID 114753024) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
PubChem CID114753024
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
SMILESCCCCCCc1noc(N)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C16H20N2O3/c1-2-3-4-5-6-12-15(16(17)21-18-12)11-7-8-13-14(9-11)20-10-19-13/h7-9H,2-6,10,17H2,1H3
InChIKeyGOKUBIOEKQMKKP-UHFFFAOYSA-N
XLogP3.78
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine
CID 114753015
3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 55130857
3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80522271
3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 65428658
4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
CID 43336149
4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43157921
4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670770
3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62503085
2-(1,3-benzodioxol-5-yl)-5-(4-octylphenyl)pyrimidine
CID 139652750
3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 82089595
4-(1,3-benzodioxol-5-yl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645078
4-(5-chloro-2-methoxyphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43336106

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine (CID 114753024) is 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine is CCCCCCc1noc(N)c1-c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine?
The InChIKey is GOKUBIOEKQMKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-3-4-5-6-12-15(16(17)21-18-12)11-7-8-13-14(9-11)20-10-19-13/h7-9H,2-6,10,17H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine?
4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine has a molecular weight of 288.35 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine is sourced from PubChem (CID 114753024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).