1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

C18H21N3O4 — CID 46292668

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCCc1nc(-c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)no1
InChIInChI=1S/C18H21N3O4/c1-2-15-19-16(20-25-15)13-3-5-14(6-4-13)17(22)21-9-7-18(8-10-21)23-11-12-24-18/h3-6H,2,7-12H2,1H3
InChIKeyAHLGHNSGZMJFEE-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.28
Rot. Bonds3

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 46292668) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID46292668
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCCc1nc(-c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)no1
InChIInChI=1S/C18H21N3O4/c1-2-15-19-16(20-25-15)13-3-5-14(6-4-13)17(22)21-9-7-18(8-10-21)23-11-12-24-18/h3-6H,2,7-12H2,1H3
InChIKeyAHLGHNSGZMJFEE-UHFFFAOYSA-N
XLogP2.28
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 46292668) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is CCc1nc(-c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)no1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is AHLGHNSGZMJFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-15-19-16(20-25-15)13-3-5-14(6-4-13)17(22)21-9-7-18(8-10-21)23-11-12-24-18/h3-6H,2,7-12H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 343.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 46292668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).