2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone

C17H19F3N4O3 — CID 134033852

IUPAC2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C17H19F3N4O3/c1-23(11-15(25)24-6-8-26-9-7-24)10-14-21-16(22-27-14)12-2-4-13(5-3-12)17(18,19)20/h2-5H,6-11H2,1H3
InChIKeyXLBYOSZSXLZIBN-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.05
Rot. Bonds5

About 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone

2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone (PubChem CID 134033852) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone
PubChem CID134033852
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C17H19F3N4O3/c1-23(11-15(25)24-6-8-26-9-7-24)10-14-21-16(22-27-14)12-2-4-13(5-3-12)17(18,19)20/h2-5H,6-11H2,1H3
InChIKeyXLBYOSZSXLZIBN-UHFFFAOYSA-N
XLogP2.05
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915259
N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 29208508
2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914972
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol
CID 45235261
1-morpholin-4-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 18152175
ethyl 2-[(3S)-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]acetate
CID 28734125
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654
3,3-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 55987247
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 55816296
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 42596901
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-morpholin-4-ylethanone
CID 8693106
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-morpholin-4-ylpyridine-3-carboxylate
CID 55561898

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone (CID 134033852) is 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone?
The InChIKey is XLBYOSZSXLZIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-23(11-15(25)24-6-8-26-9-7-24)10-14-21-16(22-27-14)12-2-4-13(5-3-12)17(18,19)20/h2-5H,6-11H2,1H3.
What are the key properties of 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone?
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone has a molecular weight of 384.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 134033852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).