N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide

C17H23N3O3 — CID 17014595

IUPACN-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide
SMILESCCOc1ccc(-c2nonc2NC(=O)C(CC)CC)cc1C
InChIInChI=1S/C17H23N3O3/c1-5-12(6-2)17(21)18-16-15(19-23-20-16)13-8-9-14(22-7-3)11(4)10-13/h8-10,12H,5-7H2,1-4H3,(H,18,20,21)
InChIKeyGJDURTCQDYVZBC-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.82
Rot. Bonds7

About N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide

N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide (PubChem CID 17014595) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide
PubChem CID17014595
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide
SMILESCCOc1ccc(-c2nonc2NC(=O)C(CC)CC)cc1C
InChIInChI=1S/C17H23N3O3/c1-5-12(6-2)17(21)18-16-15(19-23-20-16)13-8-9-14(22-7-3)11(4)10-13/h8-10,12H,5-7H2,1-4H3,(H,18,20,21)
InChIKeyGJDURTCQDYVZBC-UHFFFAOYSA-N
XLogP3.82
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014594
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17014054
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 35129417
2-(2,3-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 43843037
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methoxyphenoxy)propanamide
CID 35129395
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide
CID 17014592
2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 43842833
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 17014055
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
CID 17014046
(2S)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-fluorophenoxy)propanamide
CID 40965372
(2S)-2-(2-chlorophenoxy)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 40965376
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 17013562

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide?
The IUPAC name of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide (CID 17014595) is N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide?
The canonical SMILES for N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide is CCOc1ccc(-c2nonc2NC(=O)C(CC)CC)cc1C.
What is the InChIKey of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide?
The InChIKey is GJDURTCQDYVZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-12(6-2)17(21)18-16-15(19-23-20-16)13-8-9-14(22-7-3)11(4)10-13/h8-10,12H,5-7H2,1-4H3,(H,18,20,21).
What are the key properties of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide?
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide has a molecular weight of 317.39 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide is sourced from PubChem (CID 17014595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).