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

C12H21N3O3 — CID 68903489

IUPACtert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
SMILESCC(C)c1noc(CCN(C(=O)O)C(C)(C)C)n1
InChIInChI=1S/C12H21N3O3/c1-8(2)10-13-9(18-14-10)6-7-15(11(16)17)12(3,4)5/h8H,6-7H2,1-5H3,(H,16,17)
InChIKeyMAKDSRUDNUVZLZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.51
Rot. Bonds4

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

tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid (PubChem CID 68903489) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
PubChem CID68903489
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Nametert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
SMILESCC(C)c1noc(CCN(C(=O)O)C(C)(C)C)n1
InChIInChI=1S/C12H21N3O3/c1-8(2)10-13-9(18-14-10)6-7-15(11(16)17)12(3,4)5/h8H,6-7H2,1-5H3,(H,16,17)
InChIKeyMAKDSRUDNUVZLZ-UHFFFAOYSA-N
XLogP2.51
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.51
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-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid (CID 68903489) is tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid is CC(C)c1noc(CCN(C(=O)O)C(C)(C)C)n1.
What is the InChIKey of tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The InChIKey is MAKDSRUDNUVZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)10-13-9(18-14-10)6-7-15(11(16)17)12(3,4)5/h8H,6-7H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid has a molecular weight of 255.32 g/mol, XLogP of 2.51, 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-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid is sourced from PubChem (CID 68903489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).