N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C20H23F3N4O2 — CID 122669618

IUPACN-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN1CCCC2(CC2)C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H23F3N4O2/c1-13(11-27-10-2-7-19(12-27)8-9-19)24-17(28)15-5-3-14(4-6-15)16-25-18(29-26-16)20(21,22)23/h3-6,13H,2,7-12H2,1H3,(H,24,28)/t13-/m1/s1
InChIKeyDPJWEPTZTQMWTC-CYBMUJFWSA-N
MW408.42 g/mol
LogP3.75
Rot. Bonds5

About N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 122669618) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID122669618
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC NameN-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN1CCCC2(CC2)C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H23F3N4O2/c1-13(11-27-10-2-7-19(12-27)8-9-19)24-17(28)15-5-3-14(4-6-15)16-25-18(29-26-16)20(21,22)23/h3-6,13H,2,7-12H2,1H3,(H,24,28)/t13-/m1/s1
InChIKeyDPJWEPTZTQMWTC-CYBMUJFWSA-N
XLogP3.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 122669618) is N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is C[C@H](CN1CCCC2(CC2)C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is DPJWEPTZTQMWTC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-13(11-27-10-2-7-19(12-27)8-9-19)24-17(28)15-5-3-14(4-6-15)16-25-18(29-26-16)20(21,22)23/h3-6,13H,2,7-12H2,1H3,(H,24,28)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 408.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(5-azaspiro[2.5]octan-5-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 122669618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).