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

C19H21N3O4 — CID 2992016

IUPAC4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide
SMILESCCOc1ccccc1-c1noc(CCCC(=O)NCc2ccco2)n1
InChIInChI=1S/C19H21N3O4/c1-2-24-16-9-4-3-8-15(16)19-21-18(26-22-19)11-5-10-17(23)20-13-14-7-6-12-25-14/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,20,23)
InChIKeyXKYJDGOWRAOXIT-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.37
Rot. Bonds9

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

4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide (PubChem CID 2992016) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide
PubChem CID2992016
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide
SMILESCCOc1ccccc1-c1noc(CCCC(=O)NCc2ccco2)n1
InChIInChI=1S/C19H21N3O4/c1-2-24-16-9-4-3-8-15(16)19-21-18(26-22-19)11-5-10-17(23)20-13-14-7-6-12-25-14/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,20,23)
InChIKeyXKYJDGOWRAOXIT-UHFFFAOYSA-N
XLogP3.37
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 2987891
N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2991422
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 866835
4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)butanamide
CID 2990172
3-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 78805596
N-(2-ethoxyphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160360
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide
CID 5305187
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2985723
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 2002814
N-(2-ethoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2023323
N-[(2-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330856
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide (CID 2992016) is 4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide is CCOc1ccccc1-c1noc(CCCC(=O)NCc2ccco2)n1.
What is the InChIKey of 4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide?
The InChIKey is XKYJDGOWRAOXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-24-16-9-4-3-8-15(16)19-21-18(26-22-19)11-5-10-17(23)20-13-14-7-6-12-25-14/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,20,23).
What are the key properties of 4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide?
4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide has a molecular weight of 355.39 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 2992016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).