N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C16H26N4O3 — CID 91924595

IUPACN-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCNC(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1
InChIInChI=1S/C16H26N4O3/c1-4-17-15(21)20-9-12(14-19-18-13(23-14)11(2)3)16(10-20)5-7-22-8-6-16/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeySPJOBPBOSZWXCI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.12
Rot. Bonds3

About N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 91924595) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID91924595
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCNC(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1
InChIInChI=1S/C16H26N4O3/c1-4-17-15(21)20-9-12(14-19-18-13(23-14)11(2)3)16(10-20)5-7-22-8-6-16/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeySPJOBPBOSZWXCI-UHFFFAOYSA-N
XLogP2.12
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 91924595) is N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CCNC(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1.
What is the InChIKey of N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is SPJOBPBOSZWXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-4-17-15(21)20-9-12(14-19-18-13(23-14)11(2)3)16(10-20)5-7-22-8-6-16/h11-12H,4-10H2,1-3H3,(H,17,21).
What are the key properties of N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 91924595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).