3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole

C12H19N3O — CID 81173500

IUPAC3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole
SMILESc1cc(CN2CCNC3(CCCC3)C2)no1
InChIInChI=1S/C12H19N3O/c1-2-5-12(4-1)10-15(7-6-13-12)9-11-3-8-16-14-11/h3,8,13H,1-2,4-7,9-10H2
InChIKeyAHQSAUDTXRJTCM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.39
Rot. Bonds2

About 3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole

3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole (PubChem CID 81173500) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole
PubChem CID81173500
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole
SMILESc1cc(CN2CCNC3(CCCC3)C2)no1
InChIInChI=1S/C12H19N3O/c1-2-5-12(4-1)10-15(7-6-13-12)9-11-3-8-16-14-11/h3,8,13H,1-2,4-7,9-10H2
InChIKeyAHQSAUDTXRJTCM-UHFFFAOYSA-N
XLogP1.39
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole (CID 81173500) is 3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole is c1cc(CN2CCNC3(CCCC3)C2)no1.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole?
The InChIKey is AHQSAUDTXRJTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-5-12(4-1)10-15(7-6-13-12)9-11-3-8-16-14-11/h3,8,13H,1-2,4-7,9-10H2.
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole?
3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole has a molecular weight of 221.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 81173500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).