2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H15ClN4O3 — CID 95922508

IUPAC2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2cc(C)on2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H15ClN4O3/c1-10-6-16(21-17(19-10)12-4-3-5-13(18)8-12)24-9-15(23)20-14-7-11(2)25-22-14/h3-8H,9H2,1-2H3,(H,20,22,23)
InChIKeyKRFBWZSXRBFAJN-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 95922508) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID95922508
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2cc(C)on2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H15ClN4O3/c1-10-6-16(21-17(19-10)12-4-3-5-13(18)8-12)24-9-15(23)20-14-7-11(2)25-22-14/h3-8H,9H2,1-2H3,(H,20,22,23)
InChIKeyKRFBWZSXRBFAJN-UHFFFAOYSA-N
XLogP3.42
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923162
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922519
N-(3-chlorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136820
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7894277
methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
CID 47021954
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4622656
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanamide
CID 108950660
2-(2-benzyl-4-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671468
N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136811
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136821

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 95922508) is 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(OCC(=O)Nc2cc(C)on2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KRFBWZSXRBFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-10-6-16(21-17(19-10)12-4-3-5-13(18)8-12)24-9-15(23)20-14-7-11(2)25-22-14/h3-8H,9H2,1-2H3,(H,20,22,23).
What are the key properties of 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 358.79 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 95922508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).