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

C23H26N2O4 — CID 17430469

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)Cc2c(C)noc2C)ccc1OCc1ccccc1
InChIInChI=1S/C23H26N2O4/c1-16-20(17(2)29-24-16)13-23(26)25(3)14-19-10-11-21(22(12-19)27-4)28-15-18-8-6-5-7-9-18/h5-12H,13-15H2,1-4H3
InChIKeyDZSYLVBQIJAGGP-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.08
Rot. Bonds8

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 17430469) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
PubChem CID17430469
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)Cc2c(C)noc2C)ccc1OCc1ccccc1
InChIInChI=1S/C23H26N2O4/c1-16-20(17(2)29-24-16)13-23(26)25(3)14-19-10-11-21(22(12-19)27-4)28-15-18-8-6-5-7-9-18/h5-12H,13-15H2,1-4H3
InChIKeyDZSYLVBQIJAGGP-UHFFFAOYSA-N
XLogP4.08
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 25161494
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9468010
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 75459712
N-[(3-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 26622251
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 27822856
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3-methoxybenzamide
CID 24548516
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782952
tert-butyl N-[3-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-3-oxopropyl]carbamate
CID 9226000
trans-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230416

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide (CID 17430469) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide is COc1cc(CN(C)C(=O)Cc2c(C)noc2C)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is DZSYLVBQIJAGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-20(17(2)29-24-16)13-23(26)25(3)14-19-10-11-21(22(12-19)27-4)28-15-18-8-6-5-7-9-18/h5-12H,13-15H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 394.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 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-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 17430469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).