2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C19H24N6O2 — CID 118795478

IUPAC2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1ccc(-c2noc(CN3CCC4(CC3)N=C(N(C)C)NC4=O)n2)cc1
InChIInChI=1S/C19H24N6O2/c1-13-4-6-14(7-5-13)16-20-15(27-23-16)12-25-10-8-19(9-11-25)17(26)21-18(22-19)24(2)3/h4-7H,8-12H2,1-3H3,(H,21,22,26)
InChIKeySKMMPLMGTZPCCS-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.43
Rot. Bonds3

About 2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 118795478) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID118795478
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1ccc(-c2noc(CN3CCC4(CC3)N=C(N(C)C)NC4=O)n2)cc1
InChIInChI=1S/C19H24N6O2/c1-13-4-6-14(7-5-13)16-20-15(27-23-16)12-25-10-8-19(9-11-25)17(26)21-18(22-19)24(2)3/h4-7H,8-12H2,1-3H3,(H,21,22,26)
InChIKeySKMMPLMGTZPCCS-UHFFFAOYSA-N
XLogP1.43
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
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3,4-dimethyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 112831993
2-(dimethylamino)-8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 118795478) is 2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is Cc1ccc(-c2noc(CN3CCC4(CC3)N=C(N(C)C)NC4=O)n2)cc1.
What is the InChIKey of 2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is SKMMPLMGTZPCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-4-6-14(7-5-13)16-20-15(27-23-16)12-25-10-8-19(9-11-25)17(26)21-18(22-19)24(2)3/h4-7H,8-12H2,1-3H3,(H,21,22,26).
What are the key properties of 2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 368.44 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 118795478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).