tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate

C15H26N2O3 — CID 58499295

IUPACtert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
SMILESCC(C)c1nnc(C(CC(=O)OC(C)(C)C)C(C)C)o1
InChIInChI=1S/C15H26N2O3/c1-9(2)11(8-12(18)20-15(5,6)7)14-17-16-13(19-14)10(3)4/h9-11H,8H2,1-7H3
InChIKeyKLHBDKOYNXQYNV-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.66
Rot. Bonds5

About tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate

tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate (PubChem CID 58499295) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate.

Molecular Properties

Compound Nametert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
PubChem CID58499295
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
SMILESCC(C)c1nnc(C(CC(=O)OC(C)(C)C)C(C)C)o1
InChIInChI=1S/C15H26N2O3/c1-9(2)11(8-12(18)20-15(5,6)7)14-17-16-13(19-14)10(3)4/h9-11H,8H2,1-7H3
InChIKeyKLHBDKOYNXQYNV-UHFFFAOYSA-N
XLogP3.66
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
The IUPAC name of tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate (CID 58499295) is tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate.
What is the SMILES notation for tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
The canonical SMILES for tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate is CC(C)c1nnc(C(CC(=O)OC(C)(C)C)C(C)C)o1.
What is the InChIKey of tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
The InChIKey is KLHBDKOYNXQYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9(2)11(8-12(18)20-15(5,6)7)14-17-16-13(19-14)10(3)4/h9-11H,8H2,1-7H3.
What are the key properties of tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate has a molecular weight of 282.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate is sourced from PubChem (CID 58499295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).