2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide

C17H22N2O4 — CID 46470607

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)Cc2c(C)noc2C)cc1OC
InChIInChI=1S/C17H22N2O4/c1-5-22-15-7-6-13(8-16(15)21-4)10-18-17(20)9-14-11(2)19-23-12(14)3/h6-8H,5,9-10H2,1-4H3,(H,18,20)
InChIKeyAQAHFEGTWIAKAS-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.56
Rot. Bonds7

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide (PubChem CID 46470607) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
PubChem CID46470607
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)Cc2c(C)noc2C)cc1OC
InChIInChI=1S/C17H22N2O4/c1-5-22-15-7-6-13(8-16(15)21-4)10-18-17(20)9-14-11(2)19-23-12(14)3/h6-8H,5,9-10H2,1-4H3,(H,18,20)
InChIKeyAQAHFEGTWIAKAS-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
CID 75459956
1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850580
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
N-[2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]ethyl]-2-methylpropanamide
CID 32665756
2-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9147635
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3-methoxybenzamide
CID 24548516
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide
CID 24553270
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 99834666
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 51155505
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide (CID 46470607) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide is CCOc1ccc(CNC(=O)Cc2c(C)noc2C)cc1OC.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide?
The InChIKey is AQAHFEGTWIAKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-5-22-15-7-6-13(8-16(15)21-4)10-18-17(20)9-14-11(2)19-23-12(14)3/h6-8H,5,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46470607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).