5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole

C15H27N3O — CID 162472476

IUPAC5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole
SMILESCN1CCN(C(C)(C)c2cc(C(C)(C)C)on2)CC1
InChIInChI=1S/C15H27N3O/c1-14(2,3)13-11-12(16-19-13)15(4,5)18-9-7-17(6)8-10-18/h11H,7-10H2,1-6H3
InChIKeySHYOKQLVVWQNAS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.45
Rot. Bonds2

About 5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole

5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole (PubChem CID 162472476) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole
PubChem CID162472476
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole
SMILESCN1CCN(C(C)(C)c2cc(C(C)(C)C)on2)CC1
InChIInChI=1S/C15H27N3O/c1-14(2,3)13-11-12(16-19-13)15(4,5)18-9-7-17(6)8-10-18/h11H,7-10H2,1-6H3
InChIKeySHYOKQLVVWQNAS-UHFFFAOYSA-N
XLogP2.45
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole (CID 162472476) is 5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole is CN1CCN(C(C)(C)c2cc(C(C)(C)C)on2)CC1.
What is the InChIKey of 5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole?
The InChIKey is SHYOKQLVVWQNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(2,3)13-11-12(16-19-13)15(4,5)18-9-7-17(6)8-10-18/h11H,7-10H2,1-6H3.
What are the key properties of 5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole?
5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole has a molecular weight of 265.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole is sourced from PubChem (CID 162472476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).