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

C25H42N2O5 — CID 19986098

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol
SMILESCCCCCCCCCCCCCCCc1cc(OCC(CO)Oc2cc(C)on2)no1
InChIInChI=1S/C25H42N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-24(26-32-22)29-20-23(19-28)30-25-17-21(2)31-27-25/h17-18,23,28H,3-16,19-20H2,1-2H3
InChIKeySDGLZVAVENHHRY-UHFFFAOYSA-N
MW450.62 g/mol
LogP6.42
Rot. Bonds20

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

2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol (PubChem CID 19986098) has the molecular formula C25H42N2O5 and a molecular weight of 450.62 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol
PubChem CID19986098
Molecular FormulaC25H42N2O5
Molecular Weight450.62 g/mol
Exact Mass450.31
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol
SMILESCCCCCCCCCCCCCCCc1cc(OCC(CO)Oc2cc(C)on2)no1
InChIInChI=1S/C25H42N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-24(26-32-22)29-20-23(19-28)30-25-17-21(2)31-27-25/h17-18,23,28H,3-16,19-20H2,1-2H3
InChIKeySDGLZVAVENHHRY-UHFFFAOYSA-N
XLogP6.42
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol (CID 19986098) is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol is CCCCCCCCCCCCCCCc1cc(OCC(CO)Oc2cc(C)on2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol?
The InChIKey is SDGLZVAVENHHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-24(26-32-22)29-20-23(19-28)30-25-17-21(2)31-27-25/h17-18,23,28H,3-16,19-20H2,1-2H3.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol?
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol has a molecular weight of 450.62 g/mol, XLogP of 6.42, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[(5-pentadecyl-1,2-oxazol-3-yl)oxy]propan-1-ol is sourced from PubChem (CID 19986098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).