2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine

C14H17N3O3 — CID 75483942

IUPAC2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
SMILESCOc1ccc(-c2nc(C3CN(C)CCO3)no2)cc1
InChIInChI=1S/C14H17N3O3/c1-17-7-8-19-12(9-17)13-15-14(20-16-13)10-3-5-11(18-2)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKeyKNJJQBZXPYQCMJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.75
Rot. Bonds3

About 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine

2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine (PubChem CID 75483942) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
PubChem CID75483942
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
SMILESCOc1ccc(-c2nc(C3CN(C)CCO3)no2)cc1
InChIInChI=1S/C14H17N3O3/c1-17-7-8-19-12(9-17)13-15-14(20-16-13)10-3-5-11(18-2)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKeyKNJJQBZXPYQCMJ-UHFFFAOYSA-N
XLogP1.75
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone
CID 75474719
N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide
CID 75474717
2-bromo-4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078232
2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938053
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine
CID 97344123
1-[(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]butan-1-one
CID 97345130
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79086384
2-fluoro-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077241
N-ethyl-2-[(2R)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]acetamide
CID 97344606
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine
CID 97344255
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758011
2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 75483946

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine (CID 75483942) is 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine is COc1ccc(-c2nc(C3CN(C)CCO3)no2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The InChIKey is KNJJQBZXPYQCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-7-8-19-12(9-17)13-15-14(20-16-13)10-3-5-11(18-2)6-4-10/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine has a molecular weight of 275.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine is sourced from PubChem (CID 75483942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).