2-tert-butyl-4-decyl-1,3-oxazole

C17H31NO — CID 57051564

IUPAC2-tert-butyl-4-decyl-1,3-oxazole
SMILESCCCCCCCCCCc1coc(C(C)(C)C)n1
InChIInChI=1S/C17H31NO/c1-5-6-7-8-9-10-11-12-13-15-14-19-16(18-15)17(2,3)4/h14H,5-13H2,1-4H3
InChIKeyRHGFPIZVGANDQG-UHFFFAOYSA-N
MW265.44 g/mol
LogP5.66
Rot. Bonds9

About 2-tert-butyl-4-decyl-1,3-oxazole

2-tert-butyl-4-decyl-1,3-oxazole (PubChem CID 57051564) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-tert-butyl-4-decyl-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-decyl-1,3-oxazole
PubChem CID57051564
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-tert-butyl-4-decyl-1,3-oxazole
SMILESCCCCCCCCCCc1coc(C(C)(C)C)n1
InChIInChI=1S/C17H31NO/c1-5-6-7-8-9-10-11-12-13-15-14-19-16(18-15)17(2,3)4/h14H,5-13H2,1-4H3
InChIKeyRHGFPIZVGANDQG-UHFFFAOYSA-N
XLogP5.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butyl-4-decyl-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-decyl-1,3-oxazole (CID 57051564) is 2-tert-butyl-4-decyl-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-decyl-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-decyl-1,3-oxazole is CCCCCCCCCCc1coc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-decyl-1,3-oxazole?
The InChIKey is RHGFPIZVGANDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-6-7-8-9-10-11-12-13-15-14-19-16(18-15)17(2,3)4/h14H,5-13H2,1-4H3.
What are the key properties of 2-tert-butyl-4-decyl-1,3-oxazole?
2-tert-butyl-4-decyl-1,3-oxazole has a molecular weight of 265.44 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-decyl-1,3-oxazole is sourced from PubChem (CID 57051564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).