(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine

C15H18ClN3O2 — CID 31476823

IUPAC(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@@H](C)O1
InChIInChI=1S/C15H18ClN3O2/c1-10-7-19(8-11(2)20-10)9-14-17-18-15(21-14)12-3-5-13(16)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyLFBMLLAQTBNHKM-GHMZBOCLSA-N
MW307.78 g/mol
LogP3.00
Rot. Bonds3

About (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine

(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 31476823) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
PubChem CID31476823
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@@H](C)O1
InChIInChI=1S/C15H18ClN3O2/c1-10-7-19(8-11(2)20-10)9-14-17-18-15(21-14)12-3-5-13(16)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyLFBMLLAQTBNHKM-GHMZBOCLSA-N
XLogP3.00
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 18087170
[(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide
CID 167883377
[6-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102935895
2-(4-chlorophenyl)-5-(1,4-diazepan-1-ylmethyl)-1,3,4-oxadiazole
CID 43168675
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398805
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole
CID 617954
5-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine
CID 79992774
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
2-(4-chlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8541889
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788159

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine (CID 31476823) is (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is LFBMLLAQTBNHKM-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10-7-19(8-11(2)20-10)9-14-17-18-15(21-14)12-3-5-13(16)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 307.78 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 31476823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).