(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate

C14H15ClN2O3 — CID 56806422

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate
SMILESCc1noc(COC(=O)C(C)(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H15ClN2O3/c1-9-16-12(20-17-9)8-19-13(18)14(2,3)10-5-4-6-11(15)7-10/h4-7H,8H2,1-3H3
InChIKeyZXNQWLBLCIEGLM-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.05
Rot. Bonds4

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate (PubChem CID 56806422) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate
PubChem CID56806422
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate
SMILESCc1noc(COC(=O)C(C)(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H15ClN2O3/c1-9-16-12(20-17-9)8-19-13(18)14(2,3)10-5-4-6-11(15)7-10/h4-7H,8H2,1-3H3
InChIKeyZXNQWLBLCIEGLM-UHFFFAOYSA-N
XLogP3.05
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate (CID 56806422) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate is Cc1noc(COC(=O)C(C)(C)c2cccc(Cl)c2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate?
The InChIKey is ZXNQWLBLCIEGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9-16-12(20-17-9)8-19-13(18)14(2,3)10-5-4-6-11(15)7-10/h4-7H,8H2,1-3H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate has a molecular weight of 294.74 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3-chlorophenyl)-2-methylpropanoate is sourced from PubChem (CID 56806422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).