tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate

C14H22N2O4 — CID 58431094

IUPACtert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate
SMILESCC(O)Cc1noc(C2(CC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C14H22N2O4/c1-9(17)7-10-15-12(20-16-10)14(5-6-14)8-11(18)19-13(2,3)4/h9,17H,5-8H2,1-4H3
InChIKeyUGLDQLVIXLZWFN-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.76
Rot. Bonds5

About tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate

tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate (PubChem CID 58431094) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate
PubChem CID58431094
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate
SMILESCC(O)Cc1noc(C2(CC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C14H22N2O4/c1-9(17)7-10-15-12(20-16-10)14(5-6-14)8-11(18)19-13(2,3)4/h9,17H,5-8H2,1-4H3
InChIKeyUGLDQLVIXLZWFN-UHFFFAOYSA-N
XLogP1.76
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate?
The IUPAC name of tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate (CID 58431094) is tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate.
What is the SMILES notation for tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate?
The canonical SMILES for tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate is CC(O)Cc1noc(C2(CC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate?
The InChIKey is UGLDQLVIXLZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(17)7-10-15-12(20-16-10)14(5-6-14)8-11(18)19-13(2,3)4/h9,17H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate?
tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate has a molecular weight of 282.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]acetate is sourced from PubChem (CID 58431094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).