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

C19H27Cl2N3O — CID 119933264

IUPAC2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cnc(CN3CCNCC34CCCCC4)o2)cc1
InChIInChI=1S/C19H25N3O.2ClH/c1-3-7-16(8-4-1)17-13-21-18(23-17)14-22-12-11-20-15-19(22)9-5-2-6-10-19;;/h1,3-4,7-8,13,20H,2,5-6,9-12,14-15H2;2*1H
InChIKeyOPVZYONMWHFXNY-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.29
Rot. Bonds3

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

2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride (PubChem CID 119933264) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride.

Molecular Properties

Compound Name2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride
PubChem CID119933264
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cnc(CN3CCNCC34CCCCC4)o2)cc1
InChIInChI=1S/C19H25N3O.2ClH/c1-3-7-16(8-4-1)17-13-21-18(23-17)14-22-12-11-20-15-19(22)9-5-2-6-10-19;;/h1,3-4,7-8,13,20H,2,5-6,9-12,14-15H2;2*1H
InChIKeyOPVZYONMWHFXNY-UHFFFAOYSA-N
XLogP4.29
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.29
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)-5-phenyl-1,3-oxazole;dihydrochloride?
The IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride (CID 119933264) is 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride.
What is the SMILES notation for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride?
The canonical SMILES for 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride is Cl.Cl.c1ccc(-c2cnc(CN3CCNCC34CCCCC4)o2)cc1.
What is the InChIKey of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride?
The InChIKey is OPVZYONMWHFXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-3-7-16(8-4-1)17-13-21-18(23-17)14-22-12-11-20-15-19(22)9-5-2-6-10-19;;/h1,3-4,7-8,13,20H,2,5-6,9-12,14-15H2;2*1H.
What are the key properties of 2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride?
2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 4.29, 3 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)-5-phenyl-1,3-oxazole;dihydrochloride is sourced from PubChem (CID 119933264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).