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

C14H23N3O — CID 64952344

IUPAC5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCNC3(CCCCC3)C2)on1
InChIInChI=1S/C14H23N3O/c1-12-9-13(18-16-12)10-17-8-7-15-14(11-17)5-3-2-4-6-14/h9,15H,2-8,10-11H2,1H3
InChIKeyUCLJLURVFOIQND-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.09
Rot. Bonds2

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

5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole (PubChem CID 64952344) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole
PubChem CID64952344
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCNC3(CCCCC3)C2)on1
InChIInChI=1S/C14H23N3O/c1-12-9-13(18-16-12)10-17-8-7-15-14(11-17)5-3-2-4-6-14/h9,15H,2-8,10-11H2,1H3
InChIKeyUCLJLURVFOIQND-UHFFFAOYSA-N
XLogP2.09
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole (CID 64952344) is 5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole is Cc1cc(CN2CCNC3(CCCCC3)C2)on1.
What is the InChIKey of 5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole?
The InChIKey is UCLJLURVFOIQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-9-13(18-16-12)10-17-8-7-15-14(11-17)5-3-2-4-6-14/h9,15H,2-8,10-11H2,1H3.
What are the key properties of 5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole?
5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole has a molecular weight of 249.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 64952344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).