(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate

C13H20N2O4 — CID 55539803

IUPAC(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate
SMILESCC(C)c1noc(COC(=O)C2(O)CCCCC2)n1
InChIInChI=1S/C13H20N2O4/c1-9(2)11-14-10(19-15-11)8-18-12(16)13(17)6-4-3-5-7-13/h9,17H,3-8H2,1-2H3
InChIKeyMUKUTVBBJQEWBA-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.93
Rot. Bonds4

About (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate (PubChem CID 55539803) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate
PubChem CID55539803
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate
SMILESCC(C)c1noc(COC(=O)C2(O)CCCCC2)n1
InChIInChI=1S/C13H20N2O4/c1-9(2)11-14-10(19-15-11)8-18-12(16)13(17)6-4-3-5-7-13/h9,17H,3-8H2,1-2H3
InChIKeyMUKUTVBBJQEWBA-UHFFFAOYSA-N
XLogP1.93
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate (CID 55539803) is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate is CC(C)c1noc(COC(=O)C2(O)CCCCC2)n1.
What is the InChIKey of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate?
The InChIKey is MUKUTVBBJQEWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(2)11-14-10(19-15-11)8-18-12(16)13(17)6-4-3-5-7-13/h9,17H,3-8H2,1-2H3.
What are the key properties of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate?
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 55539803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).