2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H13ClN2O3 — CID 110767105

IUPAC2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)on2)cc1Cl
InChIInChI=1S/C13H13ClN2O3/c1-8-5-12(16-19-8)15-13(17)7-9-3-4-11(18-2)10(14)6-9/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyRYUUAQFJIWIQDO-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.83
Rot. Bonds4

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

2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 110767105) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID110767105
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)on2)cc1Cl
InChIInChI=1S/C13H13ClN2O3/c1-8-5-12(16-19-8)15-13(17)7-9-3-4-11(18-2)10(14)6-9/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyRYUUAQFJIWIQDO-UHFFFAOYSA-N
XLogP2.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxy-3-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110769878
2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767842
(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507075
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109003159
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
N-(2-methoxy-5-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955831
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylacetamide
CID 110697404
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134005117
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026
2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 96662357
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47332378

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 110767105) is 2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc(CC(=O)Nc2cc(C)on2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RYUUAQFJIWIQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-8-5-12(16-19-8)15-13(17)7-9-3-4-11(18-2)10(14)6-9/h3-6H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 280.71 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110767105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).