N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C23H32N6O3 — CID 91923540

IUPACN-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC2(CC1)CC(Cc1nc(-c3cnccn3)no1)CCO2
InChIInChI=1S/C23H32N6O3/c30-22(26-18-4-2-1-3-5-18)29-11-7-23(8-12-29)15-17(6-13-31-23)14-20-27-21(28-32-20)19-16-24-9-10-25-19/h9-10,16-18H,1-8,11-15H2,(H,26,30)
InChIKeyGFQRMTBVSZJPJH-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.37
Rot. Bonds4

About N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91923540) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91923540
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC NameN-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC2(CC1)CC(Cc1nc(-c3cnccn3)no1)CCO2
InChIInChI=1S/C23H32N6O3/c30-22(26-18-4-2-1-3-5-18)29-11-7-23(8-12-29)15-17(6-13-31-23)14-20-27-21(28-32-20)19-16-24-9-10-25-19/h9-10,16-18H,1-8,11-15H2,(H,26,30)
InChIKeyGFQRMTBVSZJPJH-UHFFFAOYSA-N
XLogP3.37
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91923540) is N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(NC1CCCCC1)N1CCC2(CC1)CC(Cc1nc(-c3cnccn3)no1)CCO2.
What is the InChIKey of N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is GFQRMTBVSZJPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c30-22(26-18-4-2-1-3-5-18)29-11-7-23(8-12-29)15-17(6-13-31-23)14-20-27-21(28-32-20)19-16-24-9-10-25-19/h9-10,16-18H,1-8,11-15H2,(H,26,30).
What are the key properties of N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91923540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).