3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide

C18H25N3O3 — CID 37133491

IUPAC3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NC(C)(C)CC)n2)cc1
InChIInChI=1S/C18H25N3O3/c1-5-18(3,4)20-15(22)11-12-16-19-17(21-24-16)13-7-9-14(10-8-13)23-6-2/h7-10H,5-6,11-12H2,1-4H3,(H,20,22)
InChIKeyVGQXRTHTTOULHF-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.37
Rot. Bonds8

About 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 37133491) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID37133491
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NC(C)(C)CC)n2)cc1
InChIInChI=1S/C18H25N3O3/c1-5-18(3,4)20-15(22)11-12-16-19-17(21-24-16)13-7-9-14(10-8-13)23-6-2/h7-10H,5-6,11-12H2,1-4H3,(H,20,22)
InChIKeyVGQXRTHTTOULHF-UHFFFAOYSA-N
XLogP3.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 39638742
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119606091
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 37266459
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
CID 46586148
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46476811
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide
CID 17101451
N-[1-(2,5-dimethylphenyl)ethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55570161
methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate
CID 43059753
N-(5-bromo-2-methylphenyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55804444
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-[(6-methoxynaphthalen-2-yl)methyl]propanamide
CID 46588266

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide (CID 37133491) is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide is CCOc1ccc(-c2noc(CCC(=O)NC(C)(C)CC)n2)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is VGQXRTHTTOULHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-5-18(3,4)20-15(22)11-12-16-19-17(21-24-16)13-7-9-14(10-8-13)23-6-2/h7-10H,5-6,11-12H2,1-4H3,(H,20,22).
What are the key properties of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide?
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 37133491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).