N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide

C24H21N3O4 — CID 57417789

IUPACN-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESCOc1cccc(OC)c1-c1noc(NC(=O)Cc2ccccc2)c1-c1ccncc1
InChIInChI=1S/C24H21N3O4/c1-29-18-9-6-10-19(30-2)22(18)23-21(17-11-13-25-14-12-17)24(31-27-23)26-20(28)15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyDTMUPOAIBFFKNF-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.60
Rot. Bonds7

About N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide

N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (PubChem CID 57417789) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
PubChem CID57417789
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESCOc1cccc(OC)c1-c1noc(NC(=O)Cc2ccccc2)c1-c1ccncc1
InChIInChI=1S/C24H21N3O4/c1-29-18-9-6-10-19(30-2)22(18)23-21(17-11-13-25-14-12-17)24(31-27-23)26-20(28)15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyDTMUPOAIBFFKNF-UHFFFAOYSA-N
XLogP4.60
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67197593
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417861
N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67195743
N-[4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57465234
N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 57417814
N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 69009789
2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide
CID 67200807
N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174583821
N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide
CID 67196340
5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773973
2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 67196351
N-[3-[5-(aminomethyl)-2-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174568894

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (CID 57417789) is N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is COc1cccc(OC)c1-c1noc(NC(=O)Cc2ccccc2)c1-c1ccncc1.
What is the InChIKey of N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The InChIKey is DTMUPOAIBFFKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-18-9-6-10-19(30-2)22(18)23-21(17-11-13-25-14-12-17)24(31-27-23)26-20(28)15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide has a molecular weight of 415.45 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 57417789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).