(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine

C14H14Cl2FN3O2 — CID 95303236

IUPAC(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCc1nnc(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)o1
InChIInChI=1S/C14H14Cl2FN3O2/c1-8-18-19-14(22-8)7-20-2-3-21-13(6-20)9-4-12(17)11(16)5-10(9)15/h4-5,13H,2-3,6-7H2,1H3/t13-/m0/s1
InChIKeyXXHPSXOLHCGWBK-ZDUSSCGKSA-N
MW346.19 g/mol
LogP3.40
Rot. Bonds3

About (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine

(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine (PubChem CID 95303236) has the molecular formula C14H14Cl2FN3O2 and a molecular weight of 346.19 g/mol. Its IUPAC name is (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
PubChem CID95303236
Molecular FormulaC14H14Cl2FN3O2
Molecular Weight346.19 g/mol
Exact Mass345.04
IUPAC Name(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCc1nnc(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)o1
InChIInChI=1S/C14H14Cl2FN3O2/c1-8-18-19-14(22-8)7-20-2-3-21-13(6-20)9-4-12(17)11(16)5-10(9)15/h4-5,13H,2-3,6-7H2,1H3/t13-/m0/s1
InChIKeyXXHPSXOLHCGWBK-ZDUSSCGKSA-N
XLogP3.40
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine (CID 95303236) is (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine is Cc1nnc(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)o1.
What is the InChIKey of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The InChIKey is XXHPSXOLHCGWBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14Cl2FN3O2/c1-8-18-19-14(22-8)7-20-2-3-21-13(6-20)9-4-12(17)11(16)5-10(9)15/h4-5,13H,2-3,6-7H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine has a molecular weight of 346.19 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 95303236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).