N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C23H21F3N4O5 — CID 129307769

IUPACN-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NC[C@H]1COCCN1C(=O)COc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C23H21F3N4O5/c24-23(25,26)22-28-20(29-35-22)15-6-8-16(9-7-15)21(32)27-12-17-13-33-11-10-30(17)19(31)14-34-18-4-2-1-3-5-18/h1-9,17H,10-14H2,(H,27,32)/t17-/m0/s1
InChIKeyKODBGTBFAUQQRL-KRWDZBQOSA-N
MW490.44 g/mol
LogP2.79
Rot. Bonds7

About N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 129307769) has the molecular formula C23H21F3N4O5 and a molecular weight of 490.44 g/mol. Its IUPAC name is N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID129307769
Molecular FormulaC23H21F3N4O5
Molecular Weight490.44 g/mol
Exact Mass490.15
IUPAC NameN-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NC[C@H]1COCCN1C(=O)COc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C23H21F3N4O5/c24-23(25,26)22-28-20(29-35-22)15-6-8-16(9-7-15)21(32)27-12-17-13-33-11-10-30(17)19(31)14-34-18-4-2-1-3-5-18/h1-9,17H,10-14H2,(H,27,32)/t17-/m0/s1
InChIKeyKODBGTBFAUQQRL-KRWDZBQOSA-N
XLogP2.79
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide 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

N-[[4-(3-phenylpropanoyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 129307605
(3R)-N-methyl-N-phenyl-3-[[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]morpholine-4-carboxamide
CID 140912939
tert-butyl (3R)-3-[[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]morpholine-4-carboxylate
CID 140891860
N-[[(3S)-4-(oxane-4-carbonyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 129307613
N-[[(3S)-4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 129307840
N-[[(3S)-4-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 135331727
N-[[(3S)-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 129307936
N-[[(3R)-4-(1H-pyrazole-5-carbonyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 129307701
N-[[(3S)-4-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 129307827
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[(3S)-4-(1,3,5-trimethylpyrazole-4-carbonyl)morpholin-3-yl]methyl]benzamide
CID 129307734
N-[[(3R)-4-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 140912938
[3-(2-methoxyethyl)morpholin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 139004777

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 129307769) is N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NC[C@H]1COCCN1C(=O)COc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is KODBGTBFAUQQRL-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H21F3N4O5/c24-23(25,26)22-28-20(29-35-22)15-6-8-16(9-7-15)21(32)27-12-17-13-33-11-10-30(17)19(31)14-34-18-4-2-1-3-5-18/h1-9,17H,10-14H2,(H,27,32)/t17-/m0/s1.
What are the key properties of N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 490.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-4-(2-phenoxyacetyl)morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 129307769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).