4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid

C13H21N3O3 — CID 122060002

IUPAC4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1nc(NC2CCC(C(=O)O)CC2)no1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)11-15-12(16-19-11)14-9-6-4-8(5-7-9)10(17)18/h8-9H,4-7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyFOBSSJNZOKRZCV-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.42
Rot. Bonds3

About 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid

4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122060002) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID122060002
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1nc(NC2CCC(C(=O)O)CC2)no1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)11-15-12(16-19-11)14-9-6-4-8(5-7-9)10(17)18/h8-9H,4-7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyFOBSSJNZOKRZCV-UHFFFAOYSA-N
XLogP2.42
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid (CID 122060002) is 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid is CC(C)(C)c1nc(NC2CCC(C(=O)O)CC2)no1.
What is the InChIKey of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FOBSSJNZOKRZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)11-15-12(16-19-11)14-9-6-4-8(5-7-9)10(17)18/h8-9H,4-7H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid?
4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122060002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).