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

C22H24N2O5 — CID 110412894

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2nc(-c3ccccc3OC)oc2C)cc1OC
InChIInChI=1S/C22H24N2O5/c1-14-17(24-22(29-14)16-7-5-6-8-18(16)26-2)12-21(25)23-13-15-9-10-19(27-3)20(11-15)28-4/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyADUAJOVDPRJYJU-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.53
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110412894) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110412894
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2nc(-c3ccccc3OC)oc2C)cc1OC
InChIInChI=1S/C22H24N2O5/c1-14-17(24-22(29-14)16-7-5-6-8-18(16)26-2)12-21(25)23-13-15-9-10-19(27-3)20(11-15)28-4/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyADUAJOVDPRJYJU-UHFFFAOYSA-N
XLogP3.53
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110412887
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methylsulfonylethyl)acetamide
CID 110612399
N-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110609944
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110607521
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 110673689
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110420645
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110428837
N-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356063
N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110424650
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110412894) is N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is COc1ccc(CNC(=O)Cc2nc(-c3ccccc3OC)oc2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is ADUAJOVDPRJYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-14-17(24-22(29-14)16-7-5-6-8-18(16)26-2)12-21(25)23-13-15-9-10-19(27-3)20(11-15)28-4/h5-11H,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 396.44 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110412894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).