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

C13H23NO — CID 57106585

IUPAC2-tert-butyl-4-hexyl-1,3-oxazole
SMILESCCCCCCc1coc(C(C)(C)C)n1
InChIInChI=1S/C13H23NO/c1-5-6-7-8-9-11-10-15-12(14-11)13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyPIGFKGDTJZBRGE-UHFFFAOYSA-N
MW209.33 g/mol
LogP4.09
Rot. Bonds5

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

2-tert-butyl-4-hexyl-1,3-oxazole (PubChem CID 57106585) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-tert-butyl-4-hexyl-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-hexyl-1,3-oxazole
PubChem CID57106585
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-tert-butyl-4-hexyl-1,3-oxazole
SMILESCCCCCCc1coc(C(C)(C)C)n1
InChIInChI=1S/C13H23NO/c1-5-6-7-8-9-11-10-15-12(14-11)13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyPIGFKGDTJZBRGE-UHFFFAOYSA-N
XLogP4.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.09
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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Related Compounds

4-Butyl-2-methyloxazole
CID 525783
2-Methyl-4-Pentyloxazole
CID 525786
2-Methyl-4-propyloxazole
CID 528406
4-Methyl-2-pentyloxazole
CID 525789
4-Hexyl-2-methyl-1,3-oxazole
CID 69482177
2-[(2-Tert-butyl-1,3-oxazol-4-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736336
2-[(2-Tert-butyl-1,3-oxazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006385
2-Fluoro-4-hexyl-1,3-oxazole
CID 91211469
Ethyl 4-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate
CID 129256885
5-Fluoro-2-methyl-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378357
2-Fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378583
2-Tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazole
CID 155202614

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-hexyl-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-hexyl-1,3-oxazole (CID 57106585) is 2-tert-butyl-4-hexyl-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-hexyl-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-hexyl-1,3-oxazole is CCCCCCc1coc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-hexyl-1,3-oxazole?
The InChIKey is PIGFKGDTJZBRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-6-7-8-9-11-10-15-12(14-11)13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-4-hexyl-1,3-oxazole?
2-tert-butyl-4-hexyl-1,3-oxazole has a molecular weight of 209.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-hexyl-1,3-oxazole is sourced from PubChem (CID 57106585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).