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

C23H26N2O3 — CID 6622707

IUPAC4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)NCCc3ccccc3)no2)cc1
InChIInChI=1S/C23H26N2O3/c1-2-27-21-13-11-19(12-14-21)22-17-20(25-28-22)9-6-10-23(26)24-16-15-18-7-4-3-5-8-18/h3-5,7-8,11-14,17H,2,6,9-10,15-16H2,1H3,(H,24,26)
InChIKeyZUAPPDJPQGNNOO-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.42
Rot. Bonds10

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

4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide (PubChem CID 6622707) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide
PubChem CID6622707
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)NCCc3ccccc3)no2)cc1
InChIInChI=1S/C23H26N2O3/c1-2-27-21-13-11-19(12-14-21)22-17-20(25-28-22)9-6-10-23(26)24-16-15-18-7-4-3-5-8-18/h3-5,7-8,11-14,17H,2,6,9-10,15-16H2,1H3,(H,24,26)
InChIKeyZUAPPDJPQGNNOO-UHFFFAOYSA-N
XLogP4.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
N-(2-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2466270
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617
N-cyclopentyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 6619102
1-{[5-(4-Methoxyphenyl)-3-isoxazolyl]carbonyl}azepane
CID 17252833
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)benzamide
CID 24818340
4-[5-(4-ethoxyphenyl)isoxazol-3-yl]-N-(3-methoxypropyl)butanamide
CID 3242918
N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
CID 3243514

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide (CID 6622707) is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide is CCOc1ccc(-c2cc(CCCC(=O)NCCc3ccccc3)no2)cc1.
What is the InChIKey of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide?
The InChIKey is ZUAPPDJPQGNNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-27-21-13-11-19(12-14-21)22-17-20(25-28-22)9-6-10-23(26)24-16-15-18-7-4-3-5-8-18/h3-5,7-8,11-14,17H,2,6,9-10,15-16H2,1H3,(H,24,26).
What are the key properties of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide?
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide has a molecular weight of 378.47 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 6622707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).