3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate

C20H18ClNO4 — CID 55568894

IUPAC3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESO=C(Cc1coc(-c2ccccc2)n1)OCCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO4/c21-16-7-9-18(10-8-16)24-11-4-12-25-19(23)13-17-14-26-20(22-17)15-5-2-1-3-6-15/h1-3,5-10,14H,4,11-13H2
InChIKeyORHVWDXJEAXKSE-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.55
Rot. Bonds8

About 3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate

3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate (PubChem CID 55568894) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
PubChem CID55568894
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESO=C(Cc1coc(-c2ccccc2)n1)OCCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO4/c21-16-7-9-18(10-8-16)24-11-4-12-25-19(23)13-17-14-26-20(22-17)15-5-2-1-3-6-15/h1-3,5-10,14H,4,11-13H2
InChIKeyORHVWDXJEAXKSE-UHFFFAOYSA-N
XLogP4.55
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate 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-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The IUPAC name of 3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate (CID 55568894) is 3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for 3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for 3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate is O=C(Cc1coc(-c2ccccc2)n1)OCCCOc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The InChIKey is ORHVWDXJEAXKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c21-16-7-9-18(10-8-16)24-11-4-12-25-19(23)13-17-14-26-20(22-17)15-5-2-1-3-6-15/h1-3,5-10,14H,4,11-13H2.
What are the key properties of 3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate has a molecular weight of 371.82 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 55568894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).