N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide

C21H23F3N4O3 — CID 126466410

IUPACN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)C1CC12CCN(C(=O)c1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C21H23F3N4O3/c1-13-17(26-31-25-13)12-27(2)19(30)16-11-20(16)7-9-28(10-8-20)18(29)14-5-3-4-6-15(14)21(22,23)24/h3-6,16H,7-12H2,1-2H3
InChIKeyXQXOXQCRSTUMNQ-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.30
Rot. Bonds4

About N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide

N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126466410) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126466410
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC NameN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)C1CC12CCN(C(=O)c1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C21H23F3N4O3/c1-13-17(26-31-25-13)12-27(2)19(30)16-11-20(16)7-9-28(10-8-20)18(29)14-5-3-4-6-15(14)21(22,23)24/h3-6,16H,7-12H2,1-2H3
InChIKeyXQXOXQCRSTUMNQ-UHFFFAOYSA-N
XLogP3.30
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

{1-[(4-Methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl}[3-(trifluoromethyl)phenyl]methanone
CID 16189111
6-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45167036
N-(2-(2,4-difluorophenyl)-1-{1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-4-piperidinyl}ethyl)-N-methylpropanamide
CID 45182543
6-[(2'-fluoro-3-biphenylyl)carbonyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide
CID 45212602
4-fluoro-N-({1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-piperidinyl}methyl)benzamide
CID 45226099
N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 126466310
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 45377934
8-fluoro-N-[(3-fluorophenyl)methyl]-3-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 91386027
(2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 25293425
(2S)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 25293427
(2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 25366241
(2S)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 25366252

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 126466410) is N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1nonc1CN(C)C(=O)C1CC12CCN(C(=O)c1ccccc1C(F)(F)F)CC2.
What is the InChIKey of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is XQXOXQCRSTUMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-13-17(26-31-25-13)12-27(2)19(30)16-11-20(16)7-9-28(10-8-20)18(29)14-5-3-4-6-15(14)21(22,23)24/h3-6,16H,7-12H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126466410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).