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

C16H21N3O3 — CID 75480253

IUPAC4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCOc1ccc(CCN2CCOC(c3noc(C)n3)C2)cc1
InChIInChI=1S/C16H21N3O3/c1-12-17-16(18-22-12)15-11-19(9-10-21-15)8-7-13-3-5-14(20-2)6-4-13/h3-6,15H,7-11H2,1-2H3
InChIKeyQKMZJKCWIDFAAY-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.00
Rot. Bonds5

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

4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 75480253) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID75480253
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCOc1ccc(CCN2CCOC(c3noc(C)n3)C2)cc1
InChIInChI=1S/C16H21N3O3/c1-12-17-16(18-22-12)15-11-19(9-10-21-15)8-7-13-3-5-14(20-2)6-4-13/h3-6,15H,7-11H2,1-2H3
InChIKeyQKMZJKCWIDFAAY-UHFFFAOYSA-N
XLogP2.00
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]morpholine
CID 97316176
(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)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 97316076
4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
CID 19974138
(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316174
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 75483942
(2R)-4-(cyclopentylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316183
3-(4-ethylphenyl)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97344976
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine
CID 138052975
(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316136

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (CID 75480253) is 4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is COc1ccc(CCN2CCOC(c3noc(C)n3)C2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is QKMZJKCWIDFAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-17-16(18-22-12)15-11-19(9-10-21-15)8-7-13-3-5-14(20-2)6-4-13/h3-6,15H,7-11H2,1-2H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 303.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 75480253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).