(4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine

C9H19NO2 — CID 134567853

IUPAC(4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine
SMILESCOCCCCN1C[C@@H](C)CO1
InChIInChI=1S/C9H19NO2/c1-9-7-10(12-8-9)5-3-4-6-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyWCLYNQKBRXGPST-SECBINFHSA-N
MW173.26 g/mol
LogP1.30
Rot. Bonds5

About (4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine

(4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine (PubChem CID 134567853) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name(4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine
PubChem CID134567853
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine
SMILESCOCCCCN1C[C@@H](C)CO1
InChIInChI=1S/C9H19NO2/c1-9-7-10(12-8-9)5-3-4-6-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyWCLYNQKBRXGPST-SECBINFHSA-N
XLogP1.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine?
The IUPAC name of (4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine (CID 134567853) is (4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine.
What is the SMILES notation for (4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine?
The canonical SMILES for (4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine is COCCCCN1C[C@@H](C)CO1.
What is the InChIKey of (4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine?
The InChIKey is WCLYNQKBRXGPST-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9-7-10(12-8-9)5-3-4-6-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine?
(4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine has a molecular weight of 173.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine is sourced from PubChem (CID 134567853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).