1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole

C21H39NO — CID 158011679

IUPAC1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole
SMILESCC(C)C1CC(C(C)C)C(C(C)(C)C)C1.Cc1nc(C)c(C)o1
InChIInChI=1S/C15H30.C6H9NO/c1-10(2)12-8-13(11(3)4)14(9-12)15(5,6)7;1-4-5(2)8-6(3)7-4/h10-14H,8-9H2,1-7H3;1-3H3
InChIKeyFEYQMOCEOMRWRU-UHFFFAOYSA-N
MW321.55 g/mol
LogP6.59
Rot. Bonds2

About 1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole

1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole (PubChem CID 158011679) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole.

Molecular Properties

Compound Name1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole
PubChem CID158011679
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole
SMILESCC(C)C1CC(C(C)C)C(C(C)(C)C)C1.Cc1nc(C)c(C)o1
InChIInChI=1S/C15H30.C6H9NO/c1-10(2)12-8-13(11(3)4)14(9-12)15(5,6)7;1-4-5(2)8-6(3)7-4/h10-14H,8-9H2,1-7H3;1-3H3
InChIKeyFEYQMOCEOMRWRU-UHFFFAOYSA-N
XLogP6.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole?
The IUPAC name of 1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole (CID 158011679) is 1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole.
What is the SMILES notation for 1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole?
The canonical SMILES for 1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole is CC(C)C1CC(C(C)C)C(C(C)(C)C)C1.Cc1nc(C)c(C)o1.
What is the InChIKey of 1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole?
The InChIKey is FEYQMOCEOMRWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30.C6H9NO/c1-10(2)12-8-13(11(3)4)14(9-12)15(5,6)7;1-4-5(2)8-6(3)7-4/h10-14H,8-9H2,1-7H3;1-3H3.
What are the key properties of 1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole?
1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole has a molecular weight of 321.55 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole is sourced from PubChem (CID 158011679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).