2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol

C12H23NO4 — CID 163581438

IUPAC2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol
SMILESCC(CCOCCO)OCCCC1=NCCO1
InChIInChI=1S/C12H23NO4/c1-11(4-8-15-10-6-14)16-7-2-3-12-13-5-9-17-12/h11,14H,2-10H2,1H3
InChIKeyGHWANWKFMGOPQV-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.00
Rot. Bonds10

About 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol

2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol (PubChem CID 163581438) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol.

Molecular Properties

Compound Name2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol
PubChem CID163581438
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol
SMILESCC(CCOCCO)OCCCC1=NCCO1
InChIInChI=1S/C12H23NO4/c1-11(4-8-15-10-6-14)16-7-2-3-12-13-5-9-17-12/h11,14H,2-10H2,1H3
InChIKeyGHWANWKFMGOPQV-UHFFFAOYSA-N
XLogP1.00
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol?
The IUPAC name of 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol (CID 163581438) is 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol.
What is the SMILES notation for 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol?
The canonical SMILES for 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol is CC(CCOCCO)OCCCC1=NCCO1.
What is the InChIKey of 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol?
The InChIKey is GHWANWKFMGOPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(4-8-15-10-6-14)16-7-2-3-12-13-5-9-17-12/h11,14H,2-10H2,1H3.
What are the key properties of 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol?
2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol has a molecular weight of 245.32 g/mol, XLogP of 1.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4,5-dihydro-1,3-oxazol-2-yl)propoxy]butoxy]ethanol is sourced from PubChem (CID 163581438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).