3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide

C21H22N4O3 — CID 75474012

IUPAC3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2nc(C3CN(Cc4ccccc4)CCO3)no2)c1
InChIInChI=1S/C21H22N4O3/c1-22-20(26)16-8-5-9-17(12-16)21-23-19(24-28-21)18-14-25(10-11-27-18)13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3,(H,22,26)
InChIKeyWVFKDQNUGDVGGQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.67
Rot. Bonds5

About 3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide

3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide (PubChem CID 75474012) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide
PubChem CID75474012
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2nc(C3CN(Cc4ccccc4)CCO3)no2)c1
InChIInChI=1S/C21H22N4O3/c1-22-20(26)16-8-5-9-17(12-16)21-23-19(24-28-21)18-14-25(10-11-27-18)13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3,(H,22,26)
InChIKeyWVFKDQNUGDVGGQ-UHFFFAOYSA-N
XLogP2.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-[[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol
CID 75474380
2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol
CID 97344248
[3-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 79665327
(2R)-4-(2-methoxyethyl)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344588
(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyridin-2-ylmethyl)morpholine
CID 97344246
N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120956116
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
(3-fluorophenyl)-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97345107
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 79965813
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide?
The IUPAC name of 3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide (CID 75474012) is 3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide?
The canonical SMILES for 3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2nc(C3CN(Cc4ccccc4)CCO3)no2)c1.
What is the InChIKey of 3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide?
The InChIKey is WVFKDQNUGDVGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-22-20(26)16-8-5-9-17(12-16)21-23-19(24-28-21)18-14-25(10-11-27-18)13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3,(H,22,26).
What are the key properties of 3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide?
3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide is sourced from PubChem (CID 75474012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).