(5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole

C10H19NO3 — CID 139545722

IUPAC(5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCOCCCCOCC1=NO[C@H](C)C1
InChIInChI=1S/C10H19NO3/c1-9-7-10(11-14-9)8-13-6-4-3-5-12-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyZMJBFSCCDACNIM-SECBINFHSA-N
MW201.27 g/mol
LogP1.59
Rot. Bonds7

About (5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole

(5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 139545722) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole
PubChem CID139545722
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCOCCCCOCC1=NO[C@H](C)C1
InChIInChI=1S/C10H19NO3/c1-9-7-10(11-14-9)8-13-6-4-3-5-12-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyZMJBFSCCDACNIM-SECBINFHSA-N
XLogP1.59
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole (CID 139545722) is (5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole is COCCCCOCC1=NO[C@H](C)C1.
What is the InChIKey of (5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is ZMJBFSCCDACNIM-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9-7-10(11-14-9)8-13-6-4-3-5-12-2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole?
(5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 201.27 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-methoxybutoxymethyl)-5-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 139545722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).