cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

C15H13F3N2O3 — CID 95914856

IUPACcis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESCc1noc(COC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H13F3N2O3/c1-8-19-13(23-20-8)7-22-14(21)11-6-10(11)9-4-2-3-5-12(9)15(16,17)18/h2-5,10-11H,6-7H2,1H3/t10-,11-/m0/s1
InChIKeyXWJNICJDNUOQMT-QWRGUYRKSA-N
MW326.27 g/mol
LogP3.24
Rot. Bonds4

About cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (PubChem CID 95914856) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
PubChem CID95914856
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Namecis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESCc1noc(COC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H13F3N2O3/c1-8-19-13(23-20-8)7-22-14(21)11-6-10(11)9-4-2-3-5-12(9)15(16,17)18/h2-5,10-11H,6-7H2,1H3/t10-,11-/m0/s1
InChIKeyXWJNICJDNUOQMT-QWRGUYRKSA-N
XLogP3.24
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-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 cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (CID 95914856) is cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is Cc1noc(COC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)n1.
What is the InChIKey of cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is XWJNICJDNUOQMT-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-8-19-13(23-20-8)7-22-14(21)11-6-10(11)9-4-2-3-5-12(9)15(16,17)18/h2-5,10-11H,6-7H2,1H3/t10-,11-/m0/s1.
What are the key properties of cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 326.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3-methyl-1,2,4-oxadiazol-5-yl)methyl (1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 95914856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).