2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

C20H26N4O3 — CID 91924722

IUPAC2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C20H26N4O3/c1-19(2,3)18(25)24-12-15(20(13-24)6-10-26-11-7-20)17-23-22-16(27-17)14-4-8-21-9-5-14/h4-5,8-9,15H,6-7,10-13H2,1-3H3
InChIKeyCELUJNLWTMERGH-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.90
Rot. Bonds2

About 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 91924722) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
PubChem CID91924722
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C20H26N4O3/c1-19(2,3)18(25)24-12-15(20(13-24)6-10-26-11-7-20)17-23-22-16(27-17)14-4-8-21-9-5-14/h4-5,8-9,15H,6-7,10-13H2,1-3H3
InChIKeyCELUJNLWTMERGH-UHFFFAOYSA-N
XLogP2.90
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (CID 91924722) is 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is CC(C)(C)C(=O)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1.
What is the InChIKey of 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The InChIKey is CELUJNLWTMERGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-19(2,3)18(25)24-12-15(20(13-24)6-10-26-11-7-20)17-23-22-16(27-17)14-4-8-21-9-5-14/h4-5,8-9,15H,6-7,10-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 370.45 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 91924722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).