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

C12H12ClN3O2 — CID 2730921

IUPAC4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine
SMILESClc1ccc(-c2nnc(N3CCOCC3)o2)cc1
InChIInChI=1S/C12H12ClN3O2/c13-10-3-1-9(2-4-10)11-14-15-12(18-11)16-5-7-17-8-6-16/h1-4H,5-8H2
InChIKeyCPXJOYKGPXXVSQ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.23
Rot. Bonds2

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

4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine (PubChem CID 2730921) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine
PubChem CID2730921
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine
SMILESClc1ccc(-c2nnc(N3CCOCC3)o2)cc1
InChIInChI=1S/C12H12ClN3O2/c13-10-3-1-9(2-4-10)11-14-15-12(18-11)16-5-7-17-8-6-16/h1-4H,5-8H2
InChIKeyCPXJOYKGPXXVSQ-UHFFFAOYSA-N
XLogP2.23
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine (CID 2730921) is 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine is Clc1ccc(-c2nnc(N3CCOCC3)o2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine?
The InChIKey is CPXJOYKGPXXVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-10-3-1-9(2-4-10)11-14-15-12(18-11)16-5-7-17-8-6-16/h1-4H,5-8H2.
What are the key properties of 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine?
4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine has a molecular weight of 265.70 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]morpholine is sourced from PubChem (CID 2730921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).