N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C10H13F3N4O3 — CID 95455727

IUPACN-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN2CCO[C@H](C(F)(F)F)C2)n1
InChIInChI=1S/C10H13F3N4O3/c1-14-9(18)8-15-7(20-16-8)5-17-2-3-19-6(4-17)10(11,12)13/h6H,2-5H2,1H3,(H,14,18)/t6-/m0/s1
InChIKeyZGUGRUAIINNWBA-LURJTMIESA-N
MW294.23 g/mol
LogP0.19
Rot. Bonds3

About N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 95455727) has the molecular formula C10H13F3N4O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID95455727
Molecular FormulaC10H13F3N4O3
Molecular Weight294.23 g/mol
Exact Mass294.09
IUPAC NameN-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN2CCO[C@H](C(F)(F)F)C2)n1
InChIInChI=1S/C10H13F3N4O3/c1-14-9(18)8-15-7(20-16-8)5-17-2-3-19-6(4-17)10(11,12)13/h6H,2-5H2,1H3,(H,14,18)/t6-/m0/s1
InChIKeyZGUGRUAIINNWBA-LURJTMIESA-N
XLogP0.19
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95524862
5-[[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 95562733
N-methyl-5-[[(3R)-3-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95711517
5-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 97148508
methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate
CID 78926318
(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378
N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 162636032
ethane;4-ethyl-2-(trifluoromethyl)morpholine
CID 178155697
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 56745598
2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 168940341
5-(2-amino-2-cyclopropylethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790561
methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
CID 79827344

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 95455727) is N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CN2CCO[C@H](C(F)(F)F)C2)n1.
What is the InChIKey of N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZGUGRUAIINNWBA-LURJTMIESA-N. The full InChI is InChI=1S/C10H13F3N4O3/c1-14-9(18)8-15-7(20-16-8)5-17-2-3-19-6(4-17)10(11,12)13/h6H,2-5H2,1H3,(H,14,18)/t6-/m0/s1.
What are the key properties of N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 294.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 95455727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).