3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine

C19H31NO — CID 143838481

IUPAC3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine
SMILESCCCCCCC1CN(c2ccc(C(C)(C)C)cc2)CO1
InChIInChI=1S/C19H31NO/c1-5-6-7-8-9-18-14-20(15-21-18)17-12-10-16(11-13-17)19(2,3)4/h10-13,18H,5-9,14-15H2,1-4H3
InChIKeyDMJVMJLOCMAIOF-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.12
Rot. Bonds6

About 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine

3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine (PubChem CID 143838481) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine
PubChem CID143838481
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine
SMILESCCCCCCC1CN(c2ccc(C(C)(C)C)cc2)CO1
InChIInChI=1S/C19H31NO/c1-5-6-7-8-9-18-14-20(15-21-18)17-12-10-16(11-13-17)19(2,3)4/h10-13,18H,5-9,14-15H2,1-4H3
InChIKeyDMJVMJLOCMAIOF-UHFFFAOYSA-N
XLogP5.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine?
The IUPAC name of 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine (CID 143838481) is 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine is CCCCCCC1CN(c2ccc(C(C)(C)C)cc2)CO1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine?
The InChIKey is DMJVMJLOCMAIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-6-7-8-9-18-14-20(15-21-18)17-12-10-16(11-13-17)19(2,3)4/h10-13,18H,5-9,14-15H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine?
3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine has a molecular weight of 289.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-hexyl-1,3-oxazolidine is sourced from PubChem (CID 143838481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).