N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C18H22N4O3 — CID 71915921

IUPACN-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCOC4(CCCC4)C3)c2)no1
InChIInChI=1S/C18H22N4O3/c1-13-19-16(21-25-13)14-5-4-6-15(11-14)20-17(23)22-9-10-24-18(12-22)7-2-3-8-18/h4-6,11H,2-3,7-10,12H2,1H3,(H,20,23)
InChIKeyZRNDBTMWCIISAJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.22
Rot. Bonds2

About N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 71915921) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID71915921
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCOC4(CCCC4)C3)c2)no1
InChIInChI=1S/C18H22N4O3/c1-13-19-16(21-25-13)14-5-4-6-15(11-14)20-17(23)22-9-10-24-18(12-22)7-2-3-8-18/h4-6,11H,2-3,7-10,12H2,1H3,(H,20,23)
InChIKeyZRNDBTMWCIISAJ-UHFFFAOYSA-N
XLogP3.22
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 71915921) is N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is Cc1nc(-c2cccc(NC(=O)N3CCOC4(CCCC4)C3)c2)no1.
What is the InChIKey of N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is ZRNDBTMWCIISAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-19-16(21-25-13)14-5-4-6-15(11-14)20-17(23)22-9-10-24-18(12-22)7-2-3-8-18/h4-6,11H,2-3,7-10,12H2,1H3,(H,20,23).
What are the key properties of N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 71915921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).