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

C22H24N2O3 — CID 27665797

IUPACN-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C22H24N2O3/c1-16-21(17(2)27-23-16)15-26-20-11-9-18(10-12-20)13-22(25)24(3)14-19-7-5-4-6-8-19/h4-12H,13-15H2,1-3H3
InChIKeyAINBTYXDOCCZNQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.07
Rot. Bonds7

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

N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide (PubChem CID 27665797) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
PubChem CID27665797
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C22H24N2O3/c1-16-21(17(2)27-23-16)15-26-20-11-9-18(10-12-20)13-22(25)24(3)14-19-7-5-4-6-8-19/h4-12H,13-15H2,1-3H3
InChIKeyAINBTYXDOCCZNQ-UHFFFAOYSA-N
XLogP4.07
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 26555263
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
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-phenylacetamide
CID 43025463
N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide
CID 112767890
N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 34677040
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
CID 17430469
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27807901
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 31335493
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide (CID 27665797) is N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide is Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide?
The InChIKey is AINBTYXDOCCZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-21(17(2)27-23-16)15-26-20-11-9-18(10-12-20)13-22(25)24(3)14-19-7-5-4-6-8-19/h4-12H,13-15H2,1-3H3.
What are the key properties of N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide?
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide has a molecular weight of 364.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide is sourced from PubChem (CID 27665797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).