(5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole

C7H13NO3 — CID 124668749

IUPAC(5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCOC(OC)[C@@H]1CC(C)=NO1
InChIInChI=1S/C7H13NO3/c1-5-4-6(11-8-5)7(9-2)10-3/h6-7H,4H2,1-3H3/t6-/m0/s1
InChIKeyAKKPBKSORYJDJO-LURJTMIESA-N
MW159.18 g/mol
LogP0.77
Rot. Bonds3

About (5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole

(5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 124668749) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID124668749
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCOC(OC)[C@@H]1CC(C)=NO1
InChIInChI=1S/C7H13NO3/c1-5-4-6(11-8-5)7(9-2)10-3/h6-7H,4H2,1-3H3/t6-/m0/s1
InChIKeyAKKPBKSORYJDJO-LURJTMIESA-N
XLogP0.77
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 124668749) is (5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole is COC(OC)[C@@H]1CC(C)=NO1.
What is the InChIKey of (5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is AKKPBKSORYJDJO-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-4-6(11-8-5)7(9-2)10-3/h6-7H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of (5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
(5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 159.18 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 124668749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).