4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine

C15H18ClN3O2 — CID 154393200

IUPAC4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine
SMILESClc1ccc(-c2noc(CCCN3CCOCC3)n2)cc1
InChIInChI=1S/C15H18ClN3O2/c16-13-5-3-12(4-6-13)15-17-14(21-18-15)2-1-7-19-8-10-20-11-9-19/h3-6H,1-2,7-11H2
InChIKeyJEUOISYKGDKZKV-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.65
Rot. Bonds5

About 4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine

4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine (PubChem CID 154393200) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine
PubChem CID154393200
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine
SMILESClc1ccc(-c2noc(CCCN3CCOCC3)n2)cc1
InChIInChI=1S/C15H18ClN3O2/c16-13-5-3-12(4-6-13)15-17-14(21-18-15)2-1-7-19-8-10-20-11-9-19/h3-6H,1-2,7-11H2
InChIKeyJEUOISYKGDKZKV-UHFFFAOYSA-N
XLogP2.65
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
CID 154631723
4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
CID 154631714
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 38157709
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
3-(3,4-dichlorophenyl)-5-(4-pyrrolidin-1-ylbutyl)-1,2,4-oxadiazole
CID 154631731
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
3-(3,4-dichlorophenyl)-5-(4-piperidin-1-ylbutyl)-1,2,4-oxadiazole
CID 154631709
N-methyl-N-[[3-[4-(3-morpholin-4-ylpropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine;hydrochloride
CID 170870784
4-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]morpholine-3-carboxylic acid
CID 119216540
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 55742496
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 42809096

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine?
The IUPAC name of 4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine (CID 154393200) is 4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine is Clc1ccc(-c2noc(CCCN3CCOCC3)n2)cc1.
What is the InChIKey of 4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine?
The InChIKey is JEUOISYKGDKZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-13-5-3-12(4-6-13)15-17-14(21-18-15)2-1-7-19-8-10-20-11-9-19/h3-6H,1-2,7-11H2.
What are the key properties of 4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine?
4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine has a molecular weight of 307.78 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine is sourced from PubChem (CID 154393200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).