2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C18H22ClN3O3 — CID 16878605

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCCCN1CCOCC1
InChIInChI=1S/C18H22ClN3O3/c19-15-4-2-14(3-5-15)17-12-16(21-25-17)13-18(23)20-6-1-7-22-8-10-24-11-9-22/h2-5,12H,1,6-11,13H2,(H,20,23)
InChIKeyJUZKTTDQNDKBCI-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.38
Rot. Bonds7

About 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 16878605) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID16878605
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCCCN1CCOCC1
InChIInChI=1S/C18H22ClN3O3/c19-15-4-2-14(3-5-15)17-12-16(21-25-17)13-18(23)20-6-1-7-22-8-10-24-11-9-22/h2-5,12H,1,6-11,13H2,(H,20,23)
InChIKeyJUZKTTDQNDKBCI-UHFFFAOYSA-N
XLogP2.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide 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 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 16878605) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCCCN1CCOCC1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is JUZKTTDQNDKBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c19-15-4-2-14(3-5-15)17-12-16(21-25-17)13-18(23)20-6-1-7-22-8-10-24-11-9-22/h2-5,12H,1,6-11,13H2,(H,20,23).
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 363.85 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 16878605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).