5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole

C15H19N3O4S — CID 95219253

IUPAC5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccno2)o1)N1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C15H19N3O4S/c19-23(20,14-3-2-12(21-14)13-4-7-17-22-13)18-9-1-5-15(11-18)6-8-16-10-15/h2-4,7,16H,1,5-6,8-11H2/t15-/m1/s1
InChIKeySPVJBOAOOLNYNO-OAHLLOKOSA-N
MW337.40 g/mol
LogP1.70
Rot. Bonds3

About 5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole

5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole (PubChem CID 95219253) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole
PubChem CID95219253
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccno2)o1)N1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C15H19N3O4S/c19-23(20,14-3-2-12(21-14)13-4-7-17-22-13)18-9-1-5-15(11-18)6-8-16-10-15/h2-4,7,16H,1,5-6,8-11H2/t15-/m1/s1
InChIKeySPVJBOAOOLNYNO-OAHLLOKOSA-N
XLogP1.70
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole?
The IUPAC name of 5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole (CID 95219253) is 5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole is O=S(=O)(c1ccc(-c2ccno2)o1)N1CCC[C@]2(CCNC2)C1.
What is the InChIKey of 5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole?
The InChIKey is SPVJBOAOOLNYNO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-23(20,14-3-2-12(21-14)13-4-7-17-22-13)18-9-1-5-15(11-18)6-8-16-10-15/h2-4,7,16H,1,5-6,8-11H2/t15-/m1/s1.
What are the key properties of 5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole?
5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole has a molecular weight of 337.40 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole is sourced from PubChem (CID 95219253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).