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

C21H23N3O3 — CID 110424650

IUPACN-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1ccccc1-c1nc(CC(=O)Nc2ccc(N(C)C)cc2)c(C)o1
InChIInChI=1S/C21H23N3O3/c1-14-18(23-21(27-14)17-7-5-6-8-19(17)26-4)13-20(25)22-15-9-11-16(12-10-15)24(2)3/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyJBNXUAJOCYFGSX-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.91
Rot. Bonds6

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

N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110424650) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110424650
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1ccccc1-c1nc(CC(=O)Nc2ccc(N(C)C)cc2)c(C)o1
InChIInChI=1S/C21H23N3O3/c1-14-18(23-21(27-14)17-7-5-6-8-19(17)26-4)13-20(25)22-15-9-11-16(12-10-15)24(2)3/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyJBNXUAJOCYFGSX-UHFFFAOYSA-N
XLogP3.91
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110420645
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
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
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 110425941
methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424245
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methylsulfonylethyl)acetamide
CID 110612399
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110412894
N-(2-methoxyphenyl)-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16614446
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-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110424650) is N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is COc1ccccc1-c1nc(CC(=O)Nc2ccc(N(C)C)cc2)c(C)o1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is JBNXUAJOCYFGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-18(23-21(27-14)17-7-5-6-8-19(17)26-4)13-20(25)22-15-9-11-16(12-10-15)24(2)3/h5-12H,13H2,1-4H3,(H,22,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110424650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).