4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine

C18H24N4O3S — CID 154745649

IUPAC4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1onc(N)c1S(=O)(=O)N1CCC2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N4O3S/c1-14-16(17(19)20-25-14)26(23,24)22-10-8-18(13-22)7-9-21(12-18)11-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H2,19,20)
InChIKeyUWCDZIKJLWBPAI-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.85
Rot. Bonds4

About 4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine

4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 154745649) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine
PubChem CID154745649
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1onc(N)c1S(=O)(=O)N1CCC2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N4O3S/c1-14-16(17(19)20-25-14)26(23,24)22-10-8-18(13-22)7-9-21(12-18)11-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H2,19,20)
InChIKeyUWCDZIKJLWBPAI-UHFFFAOYSA-N
XLogP1.85
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine (CID 154745649) is 4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine is Cc1onc(N)c1S(=O)(=O)N1CCC2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is UWCDZIKJLWBPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14-16(17(19)20-25-14)26(23,24)22-10-8-18(13-22)7-9-21(12-18)11-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H2,19,20).
What are the key properties of 4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine?
4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 376.48 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 154745649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).