4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide

C19H26N2O4 — CID 3242918

IUPAC4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)NCCCOC)no2)cc1
InChIInChI=1S/C19H26N2O4/c1-3-24-17-10-8-15(9-11-17)18-14-16(21-25-18)6-4-7-19(22)20-12-5-13-23-2/h8-11,14H,3-7,12-13H2,1-2H3,(H,20,22)
InChIKeyVZWSAXKPPPSKJI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.22
Rot. Bonds11

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

4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide (PubChem CID 3242918) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide.

Molecular Properties

Compound Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide
PubChem CID3242918
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)NCCCOC)no2)cc1
InChIInChI=1S/C19H26N2O4/c1-3-24-17-10-8-15(9-11-17)18-14-16(21-25-18)6-4-7-19(22)20-12-5-13-23-2/h8-11,14H,3-7,12-13H2,1-2H3,(H,20,22)
InChIKeyVZWSAXKPPPSKJI-UHFFFAOYSA-N
XLogP3.22
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide?
The IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide (CID 3242918) is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide.
What is the SMILES notation for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide?
The canonical SMILES for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide is CCOc1ccc(-c2cc(CCCC(=O)NCCCOC)no2)cc1.
What is the InChIKey of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide?
The InChIKey is VZWSAXKPPPSKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-24-17-10-8-15(9-11-17)18-14-16(21-25-18)6-4-7-19(22)20-12-5-13-23-2/h8-11,14H,3-7,12-13H2,1-2H3,(H,20,22).
What are the key properties of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide?
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide has a molecular weight of 346.43 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)butanamide is sourced from PubChem (CID 3242918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).