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

C17H24N4O2 — CID 75535651

IUPAC3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole
SMILESc1cc(CN2CCN(Cc3ccon3)C3(CCCCC3)C2)no1
InChIInChI=1S/C17H24N4O2/c1-2-6-17(7-3-1)14-20(12-15-4-10-22-18-15)8-9-21(17)13-16-5-11-23-19-16/h4-5,10-11H,1-3,6-9,12-14H2
InChIKeyWYTWDMXRCCXIPF-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.68
Rot. Bonds4

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

3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole (PubChem CID 75535651) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole
PubChem CID75535651
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole
SMILESc1cc(CN2CCN(Cc3ccon3)C3(CCCCC3)C2)no1
InChIInChI=1S/C17H24N4O2/c1-2-6-17(7-3-1)14-20(12-15-4-10-22-18-15)8-9-21(17)13-16-5-11-23-19-16/h4-5,10-11H,1-3,6-9,12-14H2
InChIKeyWYTWDMXRCCXIPF-UHFFFAOYSA-N
XLogP2.68
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole (CID 75535651) is 3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole is c1cc(CN2CCN(Cc3ccon3)C3(CCCCC3)C2)no1.
What is the InChIKey of 3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole?
The InChIKey is WYTWDMXRCCXIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-6-17(7-3-1)14-20(12-15-4-10-22-18-15)8-9-21(17)13-16-5-11-23-19-16/h4-5,10-11H,1-3,6-9,12-14H2.
What are the key properties of 3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole?
3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole has a molecular weight of 316.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,2-oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 75535651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).