5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one

C25H42N2O6 — CID 59659706

IUPAC5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one
SMILESCC(C)(CCCC(O)CCCC(O)CCCC(C)(C)Cc1cc(=O)[nH]o1)Cc1cc(=O)[nH]o1
InChIInChI=1S/C25H42N2O6/c1-24(2,16-20-14-22(30)26-32-20)12-6-10-18(28)8-5-9-19(29)11-7-13-25(3,4)17-21-15-23(31)27-33-21/h14-15,18-19,28-29H,5-13,16-17H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyQURHZNSUCMAVHR-UHFFFAOYSA-N
MW466.62 g/mol
LogP4.32
Rot. Bonds16

About 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one

5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one (PubChem CID 59659706) has the molecular formula C25H42N2O6 and a molecular weight of 466.62 g/mol. Its IUPAC name is 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one
PubChem CID59659706
Molecular FormulaC25H42N2O6
Molecular Weight466.62 g/mol
Exact Mass466.30
IUPAC Name5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one
SMILESCC(C)(CCCC(O)CCCC(O)CCCC(C)(C)Cc1cc(=O)[nH]o1)Cc1cc(=O)[nH]o1
InChIInChI=1S/C25H42N2O6/c1-24(2,16-20-14-22(30)26-32-20)12-6-10-18(28)8-5-9-19(29)11-7-13-25(3,4)17-21-15-23(31)27-33-21/h14-15,18-19,28-29H,5-13,16-17H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyQURHZNSUCMAVHR-UHFFFAOYSA-N
XLogP4.32
TPSA132.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5,8-dihydroxy-2,2,11,11-tetramethyl-12-(3-oxo-1,2-oxazol-5-yl)dodecyl]-1,2-oxazol-3-one
CID 59659702
5-[5-[3-[4,4-dimethyl-5-(3-oxo-1,2-oxazol-5-yl)pentyl]sulfanylpropylsulfanyl]-2,2-dimethylpentyl]-1,2-oxazol-3-one
CID 20633496
2,2,12,12-tetramethyl-1,13-bis(3-oxo-1,2-oxazol-5-yl)tridecane-5,9-dione
CID 23431432
3-[6,10-dihydroxy-15-(5-hydroxy-4-oxopyran-3-yl)-2,2,14,14-tetramethylpentadecyl]-5-hydroxypyran-4-one
CID 59659677
[(Z)-8-[3-[3,3-dimethyl-4-(3-oxo-1,2-oxazol-5-yl)butyl]sulfinylpropylsulfinyl]-2-imino-6,6-dimethyloct-3-en-4-yl]oxidanium
CID 142211945
5-pentyl-1,2-oxazol-3-one
CID 67147275
(3-oxo-1,2-oxazol-5-yl)methylazanium
CID 6971146
5-[[4-(hydroxymethyl)phenyl]methyl]-1,2-oxazol-3-one
CID 122647670
7,7,9-trimethyldecane-1,3-diol
CID 57089322
6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid
CID 59659514
6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial
CID 59659598
5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one
CID 83856633

Frequently Asked Questions

What is the IUPAC name of 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one (CID 59659706) is 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one is CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)Cc1cc(=O)[nH]o1)Cc1cc(=O)[nH]o1.
What is the InChIKey of 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one?
The InChIKey is QURHZNSUCMAVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O6/c1-24(2,16-20-14-22(30)26-32-20)12-6-10-18(28)8-5-9-19(29)11-7-13-25(3,4)17-21-15-23(31)27-33-21/h14-15,18-19,28-29H,5-13,16-17H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one?
5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one has a molecular weight of 466.62 g/mol, XLogP of 4.32, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6,10-dihydroxy-2,2,14,14-tetramethyl-15-(3-oxo-1,2-oxazol-5-yl)pentadecyl]-1,2-oxazol-3-one is sourced from PubChem (CID 59659706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).