tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid

C11H19N3O3 — CID 68902152

IUPACtert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
SMILESCCc1noc(CCN(C(=O)O)C(C)(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-5-8-12-9(17-13-8)6-7-14(10(15)16)11(2,3)4/h5-7H2,1-4H3,(H,15,16)
InChIKeyZUPXNODJRBCAQP-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.95
Rot. Bonds4

About tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid

tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid (PubChem CID 68902152) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
PubChem CID68902152
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
SMILESCCc1noc(CCN(C(=O)O)C(C)(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-5-8-12-9(17-13-8)6-7-14(10(15)16)11(2,3)4/h5-7H2,1-4H3,(H,15,16)
InChIKeyZUPXNODJRBCAQP-UHFFFAOYSA-N
XLogP1.95
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid (CID 68902152) is tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid is CCc1noc(CCN(C(=O)O)C(C)(C)C)n1.
What is the InChIKey of tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The InChIKey is ZUPXNODJRBCAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-8-12-9(17-13-8)6-7-14(10(15)16)11(2,3)4/h5-7H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid has a molecular weight of 241.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid is sourced from PubChem (CID 68902152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).