4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide

C20H23N3O3 — CID 55828587

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide
SMILESCCc1noc(CCCC(=O)NCc2c(OC)ccc3ccccc23)n1
InChIInChI=1S/C20H23N3O3/c1-3-18-22-20(26-23-18)10-6-9-19(24)21-13-16-15-8-5-4-7-14(15)11-12-17(16)25-2/h4-5,7-8,11-12H,3,6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyKASAQYBLHWXTSQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.43
Rot. Bonds8

About 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide (PubChem CID 55828587) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide
PubChem CID55828587
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide
SMILESCCc1noc(CCCC(=O)NCc2c(OC)ccc3ccccc23)n1
InChIInChI=1S/C20H23N3O3/c1-3-18-22-20(26-23-18)10-6-9-19(24)21-13-16-15-8-5-4-7-14(15)11-12-17(16)25-2/h4-5,7-8,11-12H,3,6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyKASAQYBLHWXTSQ-UHFFFAOYSA-N
XLogP3.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
CID 120559869
4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 2990525
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55853602
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
CID 55566725
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 100761177
N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87041751
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide
CID 51095710
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
CID 91794306
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 55830826
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide
CID 38385652
N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2991422
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide
CID 2031380

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide (CID 55828587) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide is CCc1noc(CCCC(=O)NCc2c(OC)ccc3ccccc23)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide?
The InChIKey is KASAQYBLHWXTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-18-22-20(26-23-18)10-6-9-19(24)21-13-16-15-8-5-4-7-14(15)11-12-17(16)25-2/h4-5,7-8,11-12H,3,6,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide has a molecular weight of 353.42 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide is sourced from PubChem (CID 55828587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).