7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C14H22N4O3 — CID 167815573

IUPAC7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1noc(NC(=O)N2CC(C)(C)OC3(CCCC3)C2)n1
InChIInChI=1S/C14H22N4O3/c1-10-15-11(20-17-10)16-12(19)18-8-13(2,3)21-14(9-18)6-4-5-7-14/h4-9H2,1-3H3,(H,15,16,17,19)
InChIKeyNHLGWXCGNTYKDV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.33
Rot. Bonds1

About 7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 167815573) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID167815573
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1noc(NC(=O)N2CC(C)(C)OC3(CCCC3)C2)n1
InChIInChI=1S/C14H22N4O3/c1-10-15-11(20-17-10)16-12(19)18-8-13(2,3)21-14(9-18)6-4-5-7-14/h4-9H2,1-3H3,(H,15,16,17,19)
InChIKeyNHLGWXCGNTYKDV-UHFFFAOYSA-N
XLogP2.33
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of 7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 167815573) is 7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for 7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for 7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is Cc1noc(NC(=O)N2CC(C)(C)OC3(CCCC3)C2)n1.
What is the InChIKey of 7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is NHLGWXCGNTYKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-15-11(20-17-10)16-12(19)18-8-13(2,3)21-14(9-18)6-4-5-7-14/h4-9H2,1-3H3,(H,15,16,17,19).
What are the key properties of 7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 167815573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).