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

C26H27FN4O3 — CID 26350209

IUPAC(2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2
InChIInChI=1S/C26H27FN4O3/c1-17-23(29-34-28-17)16-30(2)25(33)21-15-26(21)10-12-31(13-11-26)24(32)19-7-5-6-18(14-19)20-8-3-4-9-22(20)27/h3-9,14,21H,10-13,15-16H2,1-2H3/t21-/m1/s1
InChIKeyVZGDIEHKPMWRAD-OAQYLSRUSA-N
MW462.53 g/mol
LogP4.09
Rot. Bonds5

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

(2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26350209) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is (2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID26350209
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name(2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2
InChIInChI=1S/C26H27FN4O3/c1-17-23(29-34-28-17)16-30(2)25(33)21-15-26(21)10-12-31(13-11-26)24(32)19-7-5-6-18(14-19)20-8-3-4-9-22(20)27/h3-9,14,21H,10-13,15-16H2,1-2H3/t21-/m1/s1
InChIKeyVZGDIEHKPMWRAD-OAQYLSRUSA-N
XLogP4.09
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 26350209) is (2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2.
What is the InChIKey of (2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is VZGDIEHKPMWRAD-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-17-23(29-34-28-17)16-30(2)25(33)21-15-26(21)10-12-31(13-11-26)24(32)19-7-5-6-18(14-19)20-8-3-4-9-22(20)27/h3-9,14,21H,10-13,15-16H2,1-2H3/t21-/m1/s1.
What are the key properties of (2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26350209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).