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

C17H23N3OS — CID 119933366

IUPAC4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(CN3CCNCC34CCCCC4)co2)c1
InChIInChI=1S/C17H23N3OS/c1-2-6-17(7-3-1)13-18-8-9-20(17)11-14-12-21-16(19-14)15-5-4-10-22-15/h4-5,10,12,18H,1-3,6-9,11,13H2
InChIKeyURKUJIDAWPFDRR-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.51
Rot. Bonds3

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

4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole (PubChem CID 119933366) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
PubChem CID119933366
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2nc(CN3CCNCC34CCCCC4)co2)c1
InChIInChI=1S/C17H23N3OS/c1-2-6-17(7-3-1)13-18-8-9-20(17)11-14-12-21-16(19-14)15-5-4-10-22-15/h4-5,10,12,18H,1-3,6-9,11,13H2
InChIKeyURKUJIDAWPFDRR-UHFFFAOYSA-N
XLogP3.51
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole (CID 119933366) is 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole is c1csc(-c2nc(CN3CCNCC34CCCCC4)co2)c1.
What is the InChIKey of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is URKUJIDAWPFDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-2-6-17(7-3-1)13-18-8-9-20(17)11-14-12-21-16(19-14)15-5-4-10-22-15/h4-5,10,12,18H,1-3,6-9,11,13H2.
What are the key properties of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole?
4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 317.46 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 119933366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).