(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

C14H15ClFN3O2 — CID 97316136

IUPAC(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc([C@@H]2CN(Cc3c(F)cccc3Cl)CCO2)no1
InChIInChI=1S/C14H15ClFN3O2/c1-9-17-14(18-21-9)13-8-19(5-6-20-13)7-10-11(15)3-2-4-12(10)16/h2-4,13H,5-8H2,1H3/t13-/m0/s1
InChIKeyJHDZTZFUFBVPJV-ZDUSSCGKSA-N
MW311.74 g/mol
LogP2.74
Rot. Bonds3

About (2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 97316136) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is (2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID97316136
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc([C@@H]2CN(Cc3c(F)cccc3Cl)CCO2)no1
InChIInChI=1S/C14H15ClFN3O2/c1-9-17-14(18-21-9)13-8-19(5-6-20-13)7-10-11(15)3-2-4-12(10)16/h2-4,13H,5-8H2,1H3/t13-/m0/s1
InChIKeyJHDZTZFUFBVPJV-ZDUSSCGKSA-N
XLogP2.74
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
CID 329188
4-{[3-(2,6-Dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
CID 2743046
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 16190751
[3-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 71456521
(2R,6S)-4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,6-dimethylmorpholine
CID 8429366
4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 11637535
3-(3-Chlorophenyl)-5-[2-(4-ethoxypiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 53621100
3-(1-Ethoxyethyl)-5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 71988767
4-[(2-Bromo-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75418950
2-(5-Methyl-1,2,4-oxadiazol-3-yl)-4-[(2-methylphenyl)methyl]morpholine
CID 75482029
1-[(2-Chloro-6-fluorophenyl)methyl]-4-methyl-4-[5-(oxan-4-YL)-1,2,4-oxadiazol-3-YL]piperidine
CID 124038795
3-(2-Chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 137638083

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (CID 97316136) is (2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is Cc1nc([C@@H]2CN(Cc3c(F)cccc3Cl)CCO2)no1.
What is the InChIKey of (2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is JHDZTZFUFBVPJV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-9-17-14(18-21-9)13-8-19(5-6-20-13)7-10-11(15)3-2-4-12(10)16/h2-4,13H,5-8H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 311.74 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 97316136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).