2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

C24H28N2O4 — CID 26555263

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1
InChIInChI=1S/C24H28N2O4/c1-5-28-21-12-8-20(9-13-21)15-26(4)24(27)14-19-6-10-22(11-7-19)29-16-23-17(2)25-30-18(23)3/h6-13H,5,14-16H2,1-4H3
InChIKeyWHQHWZOFAHGBSC-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.47
Rot. Bonds9

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 26555263) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
PubChem CID26555263
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1
InChIInChI=1S/C24H28N2O4/c1-5-28-21-12-8-20(9-13-21)15-26(4)24(27)14-19-6-10-22(11-7-19)29-16-23-17(2)25-30-18(23)3/h6-13H,5,14-16H2,1-4H3
InChIKeyWHQHWZOFAHGBSC-UHFFFAOYSA-N
XLogP4.47
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
N-[(3-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 26622251
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 46564680
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 27822856
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-phenylacetamide
CID 43025463
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007
N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30832396
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27807901
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 17475034
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide
CID 112767890

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (CID 26555263) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is CCOc1ccc(CN(C)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is WHQHWZOFAHGBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-5-28-21-12-8-20(9-13-21)15-26(4)24(27)14-19-6-10-22(11-7-19)29-16-23-17(2)25-30-18(23)3/h6-13H,5,14-16H2,1-4H3.
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 408.50 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 26555263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).