N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide

C22H24N2O4 — CID 110412887

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2nc(-c3cccc(C)c3)oc2C)cc1OC
InChIInChI=1S/C22H24N2O4/c1-14-6-5-7-17(10-14)22-24-18(15(2)28-22)12-21(25)23-13-16-8-9-19(26-3)20(11-16)27-4/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyGKLBDOUZLGBXJT-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.83
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 110412887) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID110412887
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2nc(-c3cccc(C)c3)oc2C)cc1OC
InChIInChI=1S/C22H24N2O4/c1-14-6-5-7-17(10-14)22-24-18(15(2)28-22)12-21(25)23-13-16-8-9-19(26-3)20(11-16)27-4/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyGKLBDOUZLGBXJT-UHFFFAOYSA-N
XLogP3.83
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110412894
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
N-(2,4-dimethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110422962
N-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353120
N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371886
2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 2233014
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319409
2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid
CID 142055877
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110410385
5-methyl-2-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 122175359

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide (CID 110412887) is N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide is COc1ccc(CNC(=O)Cc2nc(-c3cccc(C)c3)oc2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is GKLBDOUZLGBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-6-5-7-17(10-14)22-24-18(15(2)28-22)12-21(25)23-13-16-8-9-19(26-3)20(11-16)27-4/h5-11H,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110412887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).