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

C22H24N2O4 — CID 5308704

IUPAC4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)Nc3cccc(OC)c3)no2)cc1
InChIInChI=1S/C22H24N2O4/c1-3-27-19-12-10-16(11-13-19)21-15-18(24-28-21)7-5-9-22(25)23-17-6-4-8-20(14-17)26-2/h4,6,8,10-15H,3,5,7,9H2,1-2H3,(H,23,25)
InChIKeyMGSHIAIRIYECSG-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.71
Rot. Bonds9

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

4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide (PubChem CID 5308704) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide
PubChem CID5308704
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)Nc3cccc(OC)c3)no2)cc1
InChIInChI=1S/C22H24N2O4/c1-3-27-19-12-10-16(11-13-19)21-15-18(24-28-21)7-5-9-22(25)23-17-6-4-8-20(14-17)26-2/h4,6,8,10-15H,3,5,7,9H2,1-2H3,(H,23,25)
InChIKeyMGSHIAIRIYECSG-UHFFFAOYSA-N
XLogP4.71
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide?
The IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide (CID 5308704) is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide.
What is the SMILES notation for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide?
The canonical SMILES for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide is CCOc1ccc(-c2cc(CCCC(=O)Nc3cccc(OC)c3)no2)cc1.
What is the InChIKey of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide?
The InChIKey is MGSHIAIRIYECSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-27-19-12-10-16(11-13-19)21-15-18(24-28-21)7-5-9-22(25)23-17-6-4-8-20(14-17)26-2/h4,6,8,10-15H,3,5,7,9H2,1-2H3,(H,23,25).
What are the key properties of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide?
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)butanamide has a molecular weight of 380.44 g/mol, XLogP of 4.71, 9 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-methoxyphenyl)butanamide is sourced from PubChem (CID 5308704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).