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

C18H19N3O4 — CID 2987891

IUPAC3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCCOc1ccccc1-c1noc(CCC(=O)NCc2ccco2)n1
InChIInChI=1S/C18H19N3O4/c1-2-23-15-8-4-3-7-14(15)18-20-17(25-21-18)10-9-16(22)19-12-13-6-5-11-24-13/h3-8,11H,2,9-10,12H2,1H3,(H,19,22)
InChIKeyHVAKDWYCSKVAQP-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.98
Rot. Bonds8

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

3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 2987891) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID2987891
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCCOc1ccccc1-c1noc(CCC(=O)NCc2ccco2)n1
InChIInChI=1S/C18H19N3O4/c1-2-23-15-8-4-3-7-14(15)18-20-17(25-21-18)10-9-16(22)19-12-13-6-5-11-24-13/h3-8,11H,2,9-10,12H2,1H3,(H,19,22)
InChIKeyHVAKDWYCSKVAQP-UHFFFAOYSA-N
XLogP2.98
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide
CID 2992016
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 866835
N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2991422
3-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 78805596
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]-N-(furan-2-ylmethyl)ethanesulfonamide
CID 5305187
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)butanamide
CID 2990172
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330882

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide (CID 2987891) is 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide is CCOc1ccccc1-c1noc(CCC(=O)NCc2ccco2)n1.
What is the InChIKey of 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is HVAKDWYCSKVAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-2-23-15-8-4-3-7-14(15)18-20-17(25-21-18)10-9-16(22)19-12-13-6-5-11-24-13/h3-8,11H,2,9-10,12H2,1H3,(H,19,22).
What are the key properties of 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 341.37 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 2987891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).