4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one

C17H18ClFN6O4 — CID 58941938

IUPAC4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2nonc2CNCCN2CCOCC2)n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN6O4/c18-12-9-11(1-2-13(12)19)25-16(23-28-17(25)26)15-14(21-29-22-15)10-20-3-4-24-5-7-27-8-6-24/h1-2,9,20H,3-8,10H2
InChIKeyJUSKZRJIYIFWHM-UHFFFAOYSA-N
MW424.82 g/mol
LogP1.09
Rot. Bonds7

About 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one

4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one (PubChem CID 58941938) has the molecular formula C17H18ClFN6O4 and a molecular weight of 424.82 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
PubChem CID58941938
Molecular FormulaC17H18ClFN6O4
Molecular Weight424.82 g/mol
Exact Mass424.11
IUPAC Name4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2nonc2CNCCN2CCOCC2)n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN6O4/c18-12-9-11(1-2-13(12)19)25-16(23-28-17(25)26)15-14(21-29-22-15)10-20-3-4-24-5-7-27-8-6-24/h1-2,9,20H,3-8,10H2
InChIKeyJUSKZRJIYIFWHM-UHFFFAOYSA-N
XLogP1.09
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.82
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one 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 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one (CID 58941938) is 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2nonc2CNCCN2CCOCC2)n1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
The InChIKey is JUSKZRJIYIFWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN6O4/c18-12-9-11(1-2-13(12)19)25-16(23-28-17(25)26)15-14(21-29-22-15)10-20-3-4-24-5-7-27-8-6-24/h1-2,9,20H,3-8,10H2.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one has a molecular weight of 424.82 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-3-[4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 58941938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).