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

C16H20N2O3 — CID 55553350

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C16H20N2O3/c1-11(14-17-15(18-21-14)16(2,3)4)20-13(19)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKeyVXOVHWUSBKYZTO-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.21
Rot. Bonds4

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

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate (PubChem CID 55553350) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate
PubChem CID55553350
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C16H20N2O3/c1-11(14-17-15(18-21-14)16(2,3)4)20-13(19)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKeyVXOVHWUSBKYZTO-UHFFFAOYSA-N
XLogP3.21
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-methoxyphenyl)acetate
CID 55545052
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 55553491
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate
CID 95347851
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
CID 55553227
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate
CID 55544383
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate
CID 55545119
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 31434734
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999755
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(benzylsulfamoyl)-4-methylbenzoate
CID 55554140
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(trifluoromethyl)benzoate
CID 55544853
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-methylfuran-3-carboxylate
CID 31531901

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate (CID 55553350) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate is CC(OC(=O)Cc1ccccc1)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate?
The InChIKey is VXOVHWUSBKYZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(14-17-15(18-21-14)16(2,3)4)20-13(19)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate has a molecular weight of 288.35 g/mol, XLogP of 3.21, 4 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 2-phenylacetate is sourced from PubChem (CID 55553350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).