N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide

C15H24N2O6 — CID 75366952

IUPACN-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1O[C@H](Cc2cc(COC)on2)CC[C@@H]1O
InChIInChI=1S/C15H24N2O6/c1-20-8-12-6-10(17-23-12)5-11-3-4-13(18)14(22-11)7-16-15(19)9-21-2/h6,11,13-14,18H,3-5,7-9H2,1-2H3,(H,16,19)/t11-,13-,14+/m0/s1
InChIKeyXSLQZJYXUJWUFM-FPMFFAJLSA-N
MW328.37 g/mol
LogP0.03
Rot. Bonds8

About N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75366952) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75366952
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC NameN-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1O[C@H](Cc2cc(COC)on2)CC[C@@H]1O
InChIInChI=1S/C15H24N2O6/c1-20-8-12-6-10(17-23-12)5-11-3-4-13(18)14(22-11)7-16-15(19)9-21-2/h6,11,13-14,18H,3-5,7-9H2,1-2H3,(H,16,19)/t11-,13-,14+/m0/s1
InChIKeyXSLQZJYXUJWUFM-FPMFFAJLSA-N
XLogP0.03
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide (CID 75366952) is N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1O[C@H](Cc2cc(COC)on2)CC[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is XSLQZJYXUJWUFM-FPMFFAJLSA-N. The full InChI is InChI=1S/C15H24N2O6/c1-20-8-12-6-10(17-23-12)5-11-3-4-13(18)14(22-11)7-16-15(19)9-21-2/h6,11,13-14,18H,3-5,7-9H2,1-2H3,(H,16,19)/t11-,13-,14+/m0/s1.
What are the key properties of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 328.37 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75366952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).