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

C21H23F3N4O3 — CID 25293425

IUPAC(2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)cc1)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)14-3-5-15(6-4-14)21(22,23)24/h3-6,16H,7-12H2,1-2H3/t16-/m0/s1
InChIKeyIZLCUAGXXUTFJT-INIZCTEOSA-N
MW436.43 g/mol
LogP3.30
Rot. Bonds4

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

(2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 25293425) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID25293425
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name(2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)cc1)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)14-3-5-15(6-4-14)21(22,23)24/h3-6,16H,7-12H2,1-2H3/t16-/m0/s1
InChIKeyIZLCUAGXXUTFJT-INIZCTEOSA-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 (2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (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) is (2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of (2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is IZLCUAGXXUTFJT-INIZCTEOSA-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)14-3-5-15(6-4-14)21(22,23)24/h3-6,16H,7-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(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 (2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 25293425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).