2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine

C15H19N3O2 — CID 75482031

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
SMILESCc1cccc(CN2CCOC(c3noc(C)n3)C2)c1
InChIInChI=1S/C15H19N3O2/c1-11-4-3-5-13(8-11)9-18-6-7-19-14(10-18)15-16-12(2)20-17-15/h3-5,8,14H,6-7,9-10H2,1-2H3
InChIKeySSVXZJNKGZTGNV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.26
Rot. Bonds3

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

2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine (PubChem CID 75482031) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
PubChem CID75482031
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
SMILESCc1cccc(CN2CCOC(c3noc(C)n3)C2)c1
InChIInChI=1S/C15H19N3O2/c1-11-4-3-5-13(8-11)9-18-6-7-19-14(10-18)15-16-12(2)20-17-15/h3-5,8,14H,6-7,9-10H2,1-2H3
InChIKeySSVXZJNKGZTGNV-UHFFFAOYSA-N
XLogP2.26
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.26
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-(trifluoromethyl)phenyl]methyl]morpholine
CID 97316076
(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316136
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]morpholine
CID 97316176
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124954482
4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75480253
(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316174
(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
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine
CID 138052975
(2R)-4-(cyclopentylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316183
(2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97320286

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine (CID 75482031) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine is Cc1cccc(CN2CCOC(c3noc(C)n3)C2)c1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine?
The InChIKey is SSVXZJNKGZTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-4-3-5-13(8-11)9-18-6-7-19-14(10-18)15-16-12(2)20-17-15/h3-5,8,14H,6-7,9-10H2,1-2H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine has a molecular weight of 273.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine is sourced from PubChem (CID 75482031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).