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

C14H15ClFN3O2 — CID 97316109

IUPAC(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc([C@H]2CN(Cc3ccc(F)cc3Cl)CCO2)no1
InChIInChI=1S/C14H15ClFN3O2/c1-9-17-14(18-21-9)13-8-19(4-5-20-13)7-10-2-3-11(16)6-12(10)15/h2-3,6,13H,4-5,7-8H2,1H3/t13-/m1/s1
InChIKeyQKSUGNSAWPDELF-CYBMUJFWSA-N
MW311.74 g/mol
LogP2.74
Rot. Bonds3

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

(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 97316109) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is (2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID97316109
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc([C@H]2CN(Cc3ccc(F)cc3Cl)CCO2)no1
InChIInChI=1S/C14H15ClFN3O2/c1-9-17-14(18-21-9)13-8-19(4-5-20-13)7-10-2-3-11(16)6-12(10)15/h2-3,6,13H,4-5,7-8H2,1H3/t13-/m1/s1
InChIKeyQKSUGNSAWPDELF-CYBMUJFWSA-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

(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316136
(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrimidin-4-yl)morpholine
CID 124962421
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 97316076
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
(2S)-4-[(2-chloro-5-fluorophenyl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 99827008
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 53015168
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]morpholine
CID 97316176
4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 166225866
(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316174
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine
CID 97320099

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (CID 97316109) is (2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is Cc1nc([C@H]2CN(Cc3ccc(F)cc3Cl)CCO2)no1.
What is the InChIKey of (2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is QKSUGNSAWPDELF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-9-17-14(18-21-9)13-8-19(4-5-20-13)7-10-2-3-11(16)6-12(10)15/h2-3,6,13H,4-5,7-8H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
(2R)-4-[(2-chloro-4-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 (2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 97316109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).