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

C14H22N2OS — CID 71860987

IUPAC3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole
SMILESCc1cc(CN2CCSC3(CCCCC3)C2)on1
InChIInChI=1S/C14H22N2OS/c1-12-9-13(17-15-12)10-16-7-8-18-14(11-16)5-3-2-4-6-14/h9H,2-8,10-11H2,1H3
InChIKeyUDYDTWULBSYKQM-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.23
Rot. Bonds2

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

3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole (PubChem CID 71860987) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole
PubChem CID71860987
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole
SMILESCc1cc(CN2CCSC3(CCCCC3)C2)on1
InChIInChI=1S/C14H22N2OS/c1-12-9-13(17-15-12)10-16-7-8-18-14(11-16)5-3-2-4-6-14/h9H,2-8,10-11H2,1H3
InChIKeyUDYDTWULBSYKQM-UHFFFAOYSA-N
XLogP3.23
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole (CID 71860987) is 3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole is Cc1cc(CN2CCSC3(CCCCC3)C2)on1.
What is the InChIKey of 3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole?
The InChIKey is UDYDTWULBSYKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-12-9-13(17-15-12)10-16-7-8-18-14(11-16)5-3-2-4-6-14/h9H,2-8,10-11H2,1H3.
What are the key properties of 3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole?
3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole has a molecular weight of 266.41 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 71860987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).