2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide

C24H21N3O3 — CID 110619957

IUPAC2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1cccc(-c2cc(CC(=O)N(Cc3cccnc3)c3ccccc3)no2)c1
InChIInChI=1S/C24H21N3O3/c1-29-22-11-5-8-19(13-22)23-14-20(26-30-23)15-24(28)27(21-9-3-2-4-10-21)17-18-7-6-12-25-16-18/h2-14,16H,15,17H2,1H3
InChIKeyVSVIJXRIICBWKJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.52
Rot. Bonds7

About 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide

2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 110619957) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID110619957
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1cccc(-c2cc(CC(=O)N(Cc3cccnc3)c3ccccc3)no2)c1
InChIInChI=1S/C24H21N3O3/c1-29-22-11-5-8-19(13-22)23-14-20(26-30-23)15-24(28)27(21-9-3-2-4-10-21)17-18-7-6-12-25-16-18/h2-14,16H,15,17H2,1H3
InChIKeyVSVIJXRIICBWKJ-UHFFFAOYSA-N
XLogP4.52
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-4-pyridin-3-ylbutanamide
CID 110634060
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110316718
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 16878971
N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 112795057
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592
2-(4-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylacetamide
CID 46111582
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313446

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide (CID 110619957) is 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide is COc1cccc(-c2cc(CC(=O)N(Cc3cccnc3)c3ccccc3)no2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is VSVIJXRIICBWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-22-11-5-8-19(13-22)23-14-20(26-30-23)15-24(28)27(21-9-3-2-4-10-21)17-18-7-6-12-25-16-18/h2-14,16H,15,17H2,1H3.
What are the key properties of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide?
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.52, 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-phenyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 110619957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).