3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole

C24H40N2O4 — CID 149494593

IUPAC3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole
SMILESCc1cc(C(C)(C)CCCCOCCCOCCCC(C)(C)c2cc(C)no2)on1
InChIInChI=1S/C24H40N2O4/c1-19-17-21(29-25-19)23(3,4)11-7-8-13-27-15-10-16-28-14-9-12-24(5,6)22-18-20(2)26-30-22/h17-18H,7-16H2,1-6H3
InChIKeyZFTKDPOCFNPQFW-UHFFFAOYSA-N
MW420.59 g/mol
LogP5.91
Rot. Bonds15

About 3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole

3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole (PubChem CID 149494593) has the molecular formula C24H40N2O4 and a molecular weight of 420.59 g/mol. Its IUPAC name is 3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole
PubChem CID149494593
Molecular FormulaC24H40N2O4
Molecular Weight420.59 g/mol
Exact Mass420.30
IUPAC Name3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole
SMILESCc1cc(C(C)(C)CCCCOCCCOCCCC(C)(C)c2cc(C)no2)on1
InChIInChI=1S/C24H40N2O4/c1-19-17-21(29-25-19)23(3,4)11-7-8-13-27-15-10-16-28-14-9-12-24(5,6)22-18-20(2)26-30-22/h17-18H,7-16H2,1-6H3
InChIKeyZFTKDPOCFNPQFW-UHFFFAOYSA-N
XLogP5.91
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.59
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole (CID 149494593) is 3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole is Cc1cc(C(C)(C)CCCCOCCCOCCCC(C)(C)c2cc(C)no2)on1.
What is the InChIKey of 3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole?
The InChIKey is ZFTKDPOCFNPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O4/c1-19-17-21(29-25-19)23(3,4)11-7-8-13-27-15-10-16-28-14-9-12-24(5,6)22-18-20(2)26-30-22/h17-18H,7-16H2,1-6H3.
What are the key properties of 3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole?
3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole has a molecular weight of 420.59 g/mol, XLogP of 5.91, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-methyl-5-[3-[5-methyl-5-(3-methyl-1,2-oxazol-5-yl)hexoxy]propoxy]pentan-2-yl]-1,2-oxazole is sourced from PubChem (CID 149494593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).