2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride

C15H27Cl2N3O — CID 119933530

IUPAC2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride
SMILESCc1nc(CN2CCNCC23CCCCC3)oc1C.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-12-13(2)19-14(17-12)10-18-9-8-16-11-15(18)6-4-3-5-7-15;;/h16H,3-11H2,1-2H3;2*1H
InChIKeyYHWGUWQYTYVAJS-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.24
Rot. Bonds2

About 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride

2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride (PubChem CID 119933530) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride.

Molecular Properties

Compound Name2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride
PubChem CID119933530
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC Name2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride
SMILESCc1nc(CN2CCNCC23CCCCC3)oc1C.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-12-13(2)19-14(17-12)10-18-9-8-16-11-15(18)6-4-3-5-7-15;;/h16H,3-11H2,1-2H3;2*1H
InChIKeyYHWGUWQYTYVAJS-UHFFFAOYSA-N
XLogP3.24
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride?
The IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride (CID 119933530) is 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride.
What is the SMILES notation for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride?
The canonical SMILES for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride is Cc1nc(CN2CCNCC23CCCCC3)oc1C.Cl.Cl.
What is the InChIKey of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride?
The InChIKey is YHWGUWQYTYVAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-12-13(2)19-14(17-12)10-18-9-8-16-11-15(18)6-4-3-5-7-15;;/h16H,3-11H2,1-2H3;2*1H.
What are the key properties of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride?
2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4,5-dimethyl-1,3-oxazole;dihydrochloride is sourced from PubChem (CID 119933530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).