2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol

C22H41NO4 — CID 19986120

IUPAC2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol
SMILESCCCCCCCCCCCCCCCc1cc(OCC(CO)OC)no1
InChIInChI=1S/C22H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-22(23-27-20)26-19-21(18-24)25-2/h17,21,24H,3-16,18-19H2,1-2H3
InChIKeyYRPBISNIPGBRHM-UHFFFAOYSA-N
MW383.57 g/mol
LogP5.69
Rot. Bonds19

About 2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol

2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol (PubChem CID 19986120) has the molecular formula C22H41NO4 and a molecular weight of 383.57 g/mol. Its IUPAC name is 2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol
PubChem CID19986120
Molecular FormulaC22H41NO4
Molecular Weight383.57 g/mol
Exact Mass383.30
IUPAC Name2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol
SMILESCCCCCCCCCCCCCCCc1cc(OCC(CO)OC)no1
InChIInChI=1S/C22H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-22(23-27-20)26-19-21(18-24)25-2/h17,21,24H,3-16,18-19H2,1-2H3
InChIKeyYRPBISNIPGBRHM-UHFFFAOYSA-N
XLogP5.69
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.57
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol?
The IUPAC name of 2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol (CID 19986120) is 2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol.
What is the SMILES notation for 2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol?
The canonical SMILES for 2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol is CCCCCCCCCCCCCCCc1cc(OCC(CO)OC)no1.
What is the InChIKey of 2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol?
The InChIKey is YRPBISNIPGBRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-22(23-27-20)26-19-21(18-24)25-2/h17,21,24H,3-16,18-19H2,1-2H3.
What are the key properties of 2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol?
2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol has a molecular weight of 383.57 g/mol, XLogP of 5.69, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol is sourced from PubChem (CID 19986120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).