2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C13H13ClFN3O2 — CID 166435694

IUPAC2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(N2CCOC(c3ccc(F)cc3Cl)C2)o1
InChIInChI=1S/C13H13ClFN3O2/c1-8-16-17-13(20-8)18-4-5-19-12(7-18)10-3-2-9(15)6-11(10)14/h2-3,6,12H,4-5,7H2,1H3
InChIKeyHLOZVSNWFZRCSV-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.75
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 166435694) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID166435694
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(N2CCOC(c3ccc(F)cc3Cl)C2)o1
InChIInChI=1S/C13H13ClFN3O2/c1-8-16-17-13(20-8)18-4-5-19-12(7-18)10-3-2-9(15)6-11(10)14/h2-3,6,12H,4-5,7H2,1H3
InChIKeyHLOZVSNWFZRCSV-UHFFFAOYSA-N
XLogP2.75
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 53584102
2-(4-Fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-YL)morpholine
CID 72847711
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95303236
(2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95303237
(2R)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
CID 97188854
(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
CID 97188855
2-(2-Chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 121548709
(2S)-2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 125138040
(2R)-2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 125138041
4-(5-Methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
CID 126803663
2-(2,4-Difluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 126804384
2-(4-Fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 126827008

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 166435694) is 2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc(N2CCOC(c3ccc(F)cc3Cl)C2)o1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is HLOZVSNWFZRCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-8-16-17-13(20-8)18-4-5-19-12(7-18)10-3-2-9(15)6-11(10)14/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 297.72 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 166435694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).