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

C20H21N3O3 — CID 110316718

IUPAC2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCOc1cccc(-c2cc(CC(=O)N(C)CCc3ccncc3)no2)c1
InChIInChI=1S/C20H21N3O3/c1-23(11-8-15-6-9-21-10-7-15)20(24)14-17-13-19(26-22-17)16-4-3-5-18(12-16)25-2/h3-7,9-10,12-13H,8,11,14H2,1-2H3
InChIKeyWWUOJECHMNHUQO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.99
Rot. Bonds7

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

2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 110316718) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID110316718
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCOc1cccc(-c2cc(CC(=O)N(C)CCc3ccncc3)no2)c1
InChIInChI=1S/C20H21N3O3/c1-23(11-8-15-6-9-21-10-7-15)20(24)14-17-13-19(26-22-17)16-4-3-5-18(12-16)25-2/h3-7,9-10,12-13H,8,11,14H2,1-2H3
InChIKeyWWUOJECHMNHUQO-UHFFFAOYSA-N
XLogP2.99
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110619957
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313446
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 16878971
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687
5-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 110313435
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
CID 42823019
2-(4-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylacetamide
CID 46111582
N-(3-acetylphenyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879006

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 110316718) is 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is COc1cccc(-c2cc(CC(=O)N(C)CCc3ccncc3)no2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is WWUOJECHMNHUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-23(11-8-15-6-9-21-10-7-15)20(24)14-17-13-19(26-22-17)16-4-3-5-18(12-16)25-2/h3-7,9-10,12-13H,8,11,14H2,1-2H3.
What are the key properties of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 110316718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).