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

C21H23N3O3 — CID 2991422

IUPACN-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCOc1ccccc1-c1noc(CCCC(=O)NCc2ccccc2)n1
InChIInChI=1S/C21H23N3O3/c1-2-26-18-12-7-6-11-17(18)21-23-20(27-24-21)14-8-13-19(25)22-15-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,25)
InChIKeyZESMXHDKKGAAET-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.77
Rot. Bonds9

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

N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 2991422) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID2991422
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCOc1ccccc1-c1noc(CCCC(=O)NCc2ccccc2)n1
InChIInChI=1S/C21H23N3O3/c1-2-26-18-12-7-6-11-17(18)21-23-20(27-24-21)14-8-13-19(25)22-15-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,25)
InChIKeyZESMXHDKKGAAET-UHFFFAOYSA-N
XLogP3.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide
CID 2992016
4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)butanamide
CID 2990172
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 2987891
N-(2-ethoxyphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160360
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 50984487
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2985723
4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 2990525
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N-(2-ethoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2023323
4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
CID 17234719
N-[(2-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330856

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 2991422) is N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is CCOc1ccccc1-c1noc(CCCC(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is ZESMXHDKKGAAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-26-18-12-7-6-11-17(18)21-23-20(27-24-21)14-8-13-19(25)22-15-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,25).
What are the key properties of N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 365.43 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 2991422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).