N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide

C15H26N4O6 — CID 142205510

IUPACN-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide
SMILESCOCCC(NC(C)=O)C(O)C(O)CNC(=O)c1coc(N(C)C)n1
InChIInChI=1S/C15H26N4O6/c1-9(20)17-10(5-6-24-4)13(22)12(21)7-16-14(23)11-8-25-15(18-11)19(2)3/h8,10,12-13,21-22H,5-7H2,1-4H3,(H,16,23)(H,17,20)
InChIKeyQIZOOOAGXWVSCT-UHFFFAOYSA-N
MW358.40 g/mol
LogP-1.27
Rot. Bonds10

About N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide

N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide (PubChem CID 142205510) has the molecular formula C15H26N4O6 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide
PubChem CID142205510
Molecular FormulaC15H26N4O6
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide
SMILESCOCCC(NC(C)=O)C(O)C(O)CNC(=O)c1coc(N(C)C)n1
InChIInChI=1S/C15H26N4O6/c1-9(20)17-10(5-6-24-4)13(22)12(21)7-16-14(23)11-8-25-15(18-11)19(2)3/h8,10,12-13,21-22H,5-7H2,1-4H3,(H,16,23)(H,17,20)
InChIKeyQIZOOOAGXWVSCT-UHFFFAOYSA-N
XLogP-1.27
TPSA137.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide (CID 142205510) is N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide is COCCC(NC(C)=O)C(O)C(O)CNC(=O)c1coc(N(C)C)n1.
What is the InChIKey of N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is QIZOOOAGXWVSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O6/c1-9(20)17-10(5-6-24-4)13(22)12(21)7-16-14(23)11-8-25-15(18-11)19(2)3/h8,10,12-13,21-22H,5-7H2,1-4H3,(H,16,23)(H,17,20).
What are the key properties of N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide?
N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of -1.27, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2,3-dihydroxy-6-methoxyhexyl)-2-(dimethylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142205510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).