(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine

C15H16F3N3O2 — CID 97316076

IUPAC(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCc1nc([C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCO2)no1
InChIInChI=1S/C15H16F3N3O2/c1-10-19-14(20-23-10)13-9-21(6-7-22-13)8-11-2-4-12(5-3-11)15(16,17)18/h2-5,13H,6-9H2,1H3/t13-/m0/s1
InChIKeyGODIIELXQWPAIT-ZDUSSCGKSA-N
MW327.31 g/mol
LogP2.97
Rot. Bonds3

About (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine

(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 97316076) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID97316076
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCc1nc([C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCO2)no1
InChIInChI=1S/C15H16F3N3O2/c1-10-19-14(20-23-10)13-9-21(6-7-22-13)8-11-2-4-12(5-3-11)15(16,17)18/h2-5,13H,6-9H2,1H3/t13-/m0/s1
InChIKeyGODIIELXQWPAIT-ZDUSSCGKSA-N
XLogP2.97
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]morpholine
CID 97316176
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316136
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine
CID 138052975
4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75480253
(2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97320286
(2R)-4-(cyclopentylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316183
4-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carbonitrile
CID 78946009
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine
CID 97316172
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine
CID 97320099
(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine (CID 97316076) is (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine is Cc1nc([C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCO2)no1.
What is the InChIKey of (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is GODIIELXQWPAIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10-19-14(20-23-10)13-9-21(6-7-22-13)8-11-2-4-12(5-3-11)15(16,17)18/h2-5,13H,6-9H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 327.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 97316076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).