4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide

C24H29N3O3 — CID 17101451

IUPAC4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)CCCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1
InChIInChI=1S/C24H29N3O3/c1-5-29-20-15-13-19(14-16-20)25-21(28)7-6-8-22-26-23(27-30-22)17-9-11-18(12-10-17)24(2,3)4/h9-16H,5-8H2,1-4H3,(H,25,28)
InChIKeyFEICJOUKEUWOSP-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.39
Rot. Bonds8

About 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide

4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide (PubChem CID 17101451) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide
PubChem CID17101451
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)CCCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1
InChIInChI=1S/C24H29N3O3/c1-5-29-20-15-13-19(14-16-20)25-21(28)7-6-8-22-26-23(27-30-22)17-9-11-18(12-10-17)24(2,3)4/h9-16H,5-8H2,1-4H3,(H,25,28)
InChIKeyFEICJOUKEUWOSP-UHFFFAOYSA-N
XLogP5.39
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate
CID 43059753
N-(4-tert-butylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192064
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 24949375
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide
CID 55984297
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 60552244
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 71296571
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
CID 46586148
N-(4-chlorophenyl)-4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3161763
4-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)butanamide
CID 2985774

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide?
The IUPAC name of 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide (CID 17101451) is 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide.
What is the SMILES notation for 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide?
The canonical SMILES for 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide is CCOc1ccc(NC(=O)CCCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1.
What is the InChIKey of 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide?
The InChIKey is FEICJOUKEUWOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-29-20-15-13-19(14-16-20)25-21(28)7-6-8-22-26-23(27-30-22)17-9-11-18(12-10-17)24(2,3)4/h9-16H,5-8H2,1-4H3,(H,25,28).
What are the key properties of 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide?
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide has a molecular weight of 407.51 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide is sourced from PubChem (CID 17101451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).