5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride

C15H20ClN3O4S — CID 154887704

IUPAC5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride
SMILESCl.O=S(=O)(c1ccc(-c2ccno2)o1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C15H19N3O4S.ClH/c19-23(20,14-2-1-12(21-14)13-3-7-17-22-13)18-10-6-15(11-18)4-8-16-9-5-15;/h1-3,7,16H,4-6,8-11H2;1H
InChIKeyFBXUCTZCCVBKEI-UHFFFAOYSA-N
MW373.86 g/mol
LogP2.12
Rot. Bonds3

About 5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride

5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride (PubChem CID 154887704) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is 5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride
PubChem CID154887704
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Name5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride
SMILESCl.O=S(=O)(c1ccc(-c2ccno2)o1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C15H19N3O4S.ClH/c19-23(20,14-2-1-12(21-14)13-3-7-17-22-13)18-10-6-15(11-18)4-8-16-9-5-15;/h1-3,7,16H,4-6,8-11H2;1H
InChIKeyFBXUCTZCCVBKEI-UHFFFAOYSA-N
XLogP2.12
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride?
The IUPAC name of 5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride (CID 154887704) is 5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride is Cl.O=S(=O)(c1ccc(-c2ccno2)o1)N1CCC2(CCNCC2)C1.
What is the InChIKey of 5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride?
The InChIKey is FBXUCTZCCVBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S.ClH/c19-23(20,14-2-1-12(21-14)13-3-7-17-22-13)18-10-6-15(11-18)4-8-16-9-5-15;/h1-3,7,16H,4-6,8-11H2;1H.
What are the key properties of 5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride?
5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride is sourced from PubChem (CID 154887704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).