3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole

C16H27N3O — CID 81174386

IUPAC3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole
SMILESCC(C)C1CNC2(CCCCC2)CN1Cc1ccon1
InChIInChI=1S/C16H27N3O/c1-13(2)15-10-17-16(7-4-3-5-8-16)12-19(15)11-14-6-9-20-18-14/h6,9,13,15,17H,3-5,7-8,10-12H2,1-2H3
InChIKeyWQIRONDXROTODV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.81
Rot. Bonds3

About 3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole

3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole (PubChem CID 81174386) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole
PubChem CID81174386
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole
SMILESCC(C)C1CNC2(CCCCC2)CN1Cc1ccon1
InChIInChI=1S/C16H27N3O/c1-13(2)15-10-17-16(7-4-3-5-8-16)12-19(15)11-14-6-9-20-18-14/h6,9,13,15,17H,3-5,7-8,10-12H2,1-2H3
InChIKeyWQIRONDXROTODV-UHFFFAOYSA-N
XLogP2.81
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole (CID 81174386) is 3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole is CC(C)C1CNC2(CCCCC2)CN1Cc1ccon1.
What is the InChIKey of 3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole?
The InChIKey is WQIRONDXROTODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)15-10-17-16(7-4-3-5-8-16)12-19(15)11-14-6-9-20-18-14/h6,9,13,15,17H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of 3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole?
3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole has a molecular weight of 277.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 81174386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).