2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole

C22H36N2O2 — CID 139317578

IUPAC2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole
SMILESCC(C)(C)c1cc(C(C)(C)CCC(C)(C)c2cnc(C(C)(C)C)o2)no1
InChIInChI=1S/C22H36N2O2/c1-19(2,3)16-13-15(24-26-16)21(7,8)11-12-22(9,10)17-14-23-18(25-17)20(4,5)6/h13-14H,11-12H2,1-10H3
InChIKeyJYTQWUGQIUALGO-UHFFFAOYSA-N
MW360.54 g/mol
LogP6.29
Rot. Bonds5

About 2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole

2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole (PubChem CID 139317578) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole
PubChem CID139317578
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole
SMILESCC(C)(C)c1cc(C(C)(C)CCC(C)(C)c2cnc(C(C)(C)C)o2)no1
InChIInChI=1S/C22H36N2O2/c1-19(2,3)16-13-15(24-26-16)21(7,8)11-12-22(9,10)17-14-23-18(25-17)20(4,5)6/h13-14H,11-12H2,1-10H3
InChIKeyJYTQWUGQIUALGO-UHFFFAOYSA-N
XLogP6.29
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole (CID 139317578) is 2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole is CC(C)(C)c1cc(C(C)(C)CCC(C)(C)c2cnc(C(C)(C)C)o2)no1.
What is the InChIKey of 2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole?
The InChIKey is JYTQWUGQIUALGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-19(2,3)16-13-15(24-26-16)21(7,8)11-12-22(9,10)17-14-23-18(25-17)20(4,5)6/h13-14H,11-12H2,1-10H3.
What are the key properties of 2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole?
2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole has a molecular weight of 360.54 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[5-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylhexan-2-yl]-1,3-oxazole is sourced from PubChem (CID 139317578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).