[2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

C22H30N2O4 — CID 55998284

IUPAC[2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCCCCc1ccc(C(=O)COC(=O)CCCc2nc(C(C)(C)C)no2)cc1
InChIInChI=1S/C22H30N2O4/c1-5-6-8-16-11-13-17(14-12-16)18(25)15-27-20(26)10-7-9-19-23-21(24-28-19)22(2,3)4/h11-14H,5-10,15H2,1-4H3
InChIKeyLEOBBYKAEQNFEE-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.46
Rot. Bonds10

About [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

[2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 55998284) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Name[2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID55998284
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name[2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCCCCc1ccc(C(=O)COC(=O)CCCc2nc(C(C)(C)C)no2)cc1
InChIInChI=1S/C22H30N2O4/c1-5-6-8-16-11-13-17(14-12-16)18(25)15-27-20(26)10-7-9-19-23-21(24-28-19)22(2,3)4/h11-14H,5-10,15H2,1-4H3
InChIKeyLEOBBYKAEQNFEE-UHFFFAOYSA-N
XLogP4.46
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate with MolForge

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55665755
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999216
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55665358
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999350
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999755
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550
4-(4-butylphenyl)-4-oxobutanamide
CID 47319697
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid
CID 119206094
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
CID 46456355
[2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198067
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide
CID 60560481

Frequently Asked Questions

What is the IUPAC name of [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (CID 55998284) is [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is CCCCc1ccc(C(=O)COC(=O)CCCc2nc(C(C)(C)C)no2)cc1.
What is the InChIKey of [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is LEOBBYKAEQNFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-5-6-8-16-11-13-17(14-12-16)18(25)15-27-20(26)10-7-9-19-23-21(24-28-19)22(2,3)4/h11-14H,5-10,15H2,1-4H3.
What are the key properties of [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
[2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 386.49 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 55998284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).