5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine

C17H24N2O — CID 66203226

IUPAC5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
SMILESCCCCCc1onc(N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-4-5-6-7-15-16(17(18)19-20-15)14-10-8-13(9-11-14)12(2)3/h8-12H,4-7H2,1-3H3,(H2,18,19)
InChIKeyIJOZVCMLHJCWDW-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.78
Rot. Bonds6

About 5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine

5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine (PubChem CID 66203226) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
PubChem CID66203226
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
SMILESCCCCCc1onc(N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-4-5-6-7-15-16(17(18)19-20-15)14-10-8-13(9-11-14)12(2)3/h8-12H,4-7H2,1-3H3,(H2,18,19)
InChIKeyIJOZVCMLHJCWDW-UHFFFAOYSA-N
XLogP4.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66197935
5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 114877544
5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine
CID 66202645
4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66206625
4-(3-bromophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66199444
4-(2-chlorophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66206616
4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66198932
4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199671
4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine
CID 66199050
4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 82792888
5-(3-methylbutyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525854
4-ethyl-5-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66199437

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine (CID 66203226) is 5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine is CCCCCc1onc(N)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The InChIKey is IJOZVCMLHJCWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-5-6-7-15-16(17(18)19-20-15)14-10-8-13(9-11-14)12(2)3/h8-12H,4-7H2,1-3H3,(H2,18,19).
What are the key properties of 5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine has a molecular weight of 272.39 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66203226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).