(2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate

C15H16Cl2N2O3 — CID 86982394

IUPAC(2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCC(C)(C)c1noc(CCC(=O)Oc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H16Cl2N2O3/c1-15(2,3)14-18-11(22-19-14)7-8-12(20)21-13-9(16)5-4-6-10(13)17/h4-6H,7-8H2,1-3H3
InChIKeyDRTBHMBVWNCRBD-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.21
Rot. Bonds4

About (2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate

(2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 86982394) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is (2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID86982394
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Name(2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCC(C)(C)c1noc(CCC(=O)Oc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H16Cl2N2O3/c1-15(2,3)14-18-11(22-19-14)7-8-12(20)21-13-9(16)5-4-6-10(13)17/h4-6H,7-8H2,1-3H3
InChIKeyDRTBHMBVWNCRBD-UHFFFAOYSA-N
XLogP4.21
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of (2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate (CID 86982394) is (2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for (2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for (2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate is CC(C)(C)c1noc(CCC(=O)Oc2c(Cl)cccc2Cl)n1.
What is the InChIKey of (2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is DRTBHMBVWNCRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c1-15(2,3)14-18-11(22-19-14)7-8-12(20)21-13-9(16)5-4-6-10(13)17/h4-6H,7-8H2,1-3H3.
What are the key properties of (2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate?
(2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 343.21 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 86982394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).