3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide

C17H22N2O4 — CID 9103627

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2c(C)noc2C)cc1OC
InChIInChI=1S/C17H22N2O4/c1-5-22-15-8-6-13(10-16(15)21-4)18-17(20)9-7-14-11(2)19-23-12(14)3/h6,8,10H,5,7,9H2,1-4H3,(H,18,20)
InChIKeyOHLPXOUYOOQWSG-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.27
Rot. Bonds7

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide (PubChem CID 9103627) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide
PubChem CID9103627
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2c(C)noc2C)cc1OC
InChIInChI=1S/C17H22N2O4/c1-5-22-15-8-6-13(10-16(15)21-4)18-17(20)9-7-14-11(2)19-23-12(14)3/h6,8,10H,5,7,9H2,1-4H3,(H,18,20)
InChIKeyOHLPXOUYOOQWSG-UHFFFAOYSA-N
XLogP3.27
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
N-(benzo[d][1,3]dioxol-5-yl)-2-(3,5-dimethylisoxazol-4-yl)acetamide
CID 9437284
N-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252844
N-(3,4-dimethoxyphenyl)-5-isopropylisoxazole-3-carboxamide
CID 3237246
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2448238
N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 2476997
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225
N-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3245004
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-(3-methoxyphenyl)butanamide
CID 5308704
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 9115040
N-(4-ethoxyphenyl)-4-[5-(4-ethoxyphenyl)isoxazol-3-yl]butanamide
CID 9551508
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide (CID 9103627) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCc2c(C)noc2C)cc1OC.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide?
The InChIKey is OHLPXOUYOOQWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-5-22-15-8-6-13(10-16(15)21-4)18-17(20)9-7-14-11(2)19-23-12(14)3/h6,8,10H,5,7,9H2,1-4H3,(H,18,20).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide has a molecular weight of 318.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 9103627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).