1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate

C17H21FN2O3 — CID 55544383

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate
SMILESCC(OC(=O)CCc1ccc(F)cc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H21FN2O3/c1-11(15-19-16(20-23-15)17(2,3)4)22-14(21)10-7-12-5-8-13(18)9-6-12/h5-6,8-9,11H,7,10H2,1-4H3
InChIKeyDUTMBFVLCBYPJE-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate (PubChem CID 55544383) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate
PubChem CID55544383
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate
SMILESCC(OC(=O)CCc1ccc(F)cc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H21FN2O3/c1-11(15-19-16(20-23-15)17(2,3)4)22-14(21)10-7-12-5-8-13(18)9-6-12/h5-6,8-9,11H,7,10H2,1-4H3
InChIKeyDUTMBFVLCBYPJE-UHFFFAOYSA-N
XLogP3.74
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate (CID 55544383) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate is CC(OC(=O)CCc1ccc(F)cc1)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate?
The InChIKey is DUTMBFVLCBYPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11(15-19-16(20-23-15)17(2,3)4)22-14(21)10-7-12-5-8-13(18)9-6-12/h5-6,8-9,11H,7,10H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate has a molecular weight of 320.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 55544383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).