3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol

C25H42N2O5 — CID 19986068

IUPAC3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol
SMILESCCCCCCCCCCCCCCCCc1cc(OCC(CO)Oc2ccon2)no1
InChIInChI=1S/C25H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19-25(27-32-22)29-21-23(20-28)31-24-17-18-30-26-24/h17-19,23,28H,2-16,20-21H2,1H3
InChIKeyABVICKVZXUQYND-UHFFFAOYSA-N
MW450.62 g/mol
LogP6.51
Rot. Bonds21

About 3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol

3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol (PubChem CID 19986068) has the molecular formula C25H42N2O5 and a molecular weight of 450.62 g/mol. Its IUPAC name is 3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol.

Molecular Properties

Compound Name3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol
PubChem CID19986068
Molecular FormulaC25H42N2O5
Molecular Weight450.62 g/mol
Exact Mass450.31
IUPAC Name3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol
SMILESCCCCCCCCCCCCCCCCc1cc(OCC(CO)Oc2ccon2)no1
InChIInChI=1S/C25H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19-25(27-32-22)29-21-23(20-28)31-24-17-18-30-26-24/h17-19,23,28H,2-16,20-21H2,1H3
InChIKeyABVICKVZXUQYND-UHFFFAOYSA-N
XLogP6.51
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol 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-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol?
The IUPAC name of 3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol (CID 19986068) is 3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol.
What is the SMILES notation for 3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol?
The canonical SMILES for 3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol is CCCCCCCCCCCCCCCCc1cc(OCC(CO)Oc2ccon2)no1.
What is the InChIKey of 3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol?
The InChIKey is ABVICKVZXUQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19-25(27-32-22)29-21-23(20-28)31-24-17-18-30-26-24/h17-19,23,28H,2-16,20-21H2,1H3.
What are the key properties of 3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol?
3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol has a molecular weight of 450.62 g/mol, XLogP of 6.51, 21 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hexadecyl-1,2-oxazol-3-yl)oxy]-2-(1,2-oxazol-3-yloxy)propan-1-ol is sourced from PubChem (CID 19986068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).