2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid

C9H15N3O3 — CID 68756804

IUPAC2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
SMILESCC(C)(C)c1noc(CCNC(=O)O)n1
InChIInChI=1S/C9H15N3O3/c1-9(2,3)7-11-6(15-12-7)4-5-10-8(13)14/h10H,4-5H2,1-3H3,(H,13,14)
InChIKeyBEJPBGKSRATLNJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.18
Rot. Bonds3

About 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid (PubChem CID 68756804) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
PubChem CID68756804
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
SMILESCC(C)(C)c1noc(CCNC(=O)O)n1
InChIInChI=1S/C9H15N3O3/c1-9(2,3)7-11-6(15-12-7)4-5-10-8(13)14/h10H,4-5H2,1-3H3,(H,13,14)
InChIKeyBEJPBGKSRATLNJ-UHFFFAOYSA-N
XLogP1.18
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid (CID 68756804) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid is CC(C)(C)c1noc(CCNC(=O)O)n1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
The InChIKey is BEJPBGKSRATLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-9(2,3)7-11-6(15-12-7)4-5-10-8(13)14/h10H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid?
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid has a molecular weight of 213.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid is sourced from PubChem (CID 68756804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).