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

C10H14N2O3 — CID 60791230

IUPAC2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)c1noc(C2CC2C(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)9-11-7(15-12-9)5-4-6(5)8(13)14/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyLBMDPGNDZJNIPP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.56
Rot. Bonds2

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

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 60791230) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID60791230
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)c1noc(C2CC2C(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)9-11-7(15-12-9)5-4-6(5)8(13)14/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyLBMDPGNDZJNIPP-UHFFFAOYSA-N
XLogP1.56
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
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)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (CID 60791230) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid is CC(C)(C)c1noc(C2CC2C(=O)O)n1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is LBMDPGNDZJNIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)9-11-7(15-12-9)5-4-6(5)8(13)14/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 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)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).