methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate

C13H12ClNO3 — CID 70413530

IUPACmethyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate
SMILESCOC(=O)C(c1ccc(Cl)cc1)c1ncoc1C
InChIInChI=1S/C13H12ClNO3/c1-8-12(15-7-18-8)11(13(16)17-2)9-3-5-10(14)6-4-9/h3-7,11H,1-2H3
InChIKeySJCHNKWAHZWAML-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.94
Rot. Bonds3

About methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate

methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate (PubChem CID 70413530) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate
PubChem CID70413530
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Namemethyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate
SMILESCOC(=O)C(c1ccc(Cl)cc1)c1ncoc1C
InChIInChI=1S/C13H12ClNO3/c1-8-12(15-7-18-8)11(13(16)17-2)9-3-5-10(14)6-4-9/h3-7,11H,1-2H3
InChIKeySJCHNKWAHZWAML-UHFFFAOYSA-N
XLogP2.94
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 4656134
[(1R)-1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 7067068
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
methyl 2-(4-chlorophenyl)-2-[5-(dimethoxymethyl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]acetate
CID 139536253
methyl 2-(4-chlorophenyl)-3-oxopropanoate
CID 54175582
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate
CID 10335827
methyl 2-(5-bromo-2-chloropyrimidin-4-yl)-2-(4-fluorophenyl)acetate
CID 169021778
methyl 2-(4-amino-2-chlorophenyl)-2-(1,3-benzoxazol-5-yl)acetate
CID 91051288
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
methyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 11846342
methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate
CID 97350475

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate (CID 70413530) is methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate is COC(=O)C(c1ccc(Cl)cc1)c1ncoc1C.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate?
The InChIKey is SJCHNKWAHZWAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-8-12(15-7-18-8)11(13(16)17-2)9-3-5-10(14)6-4-9/h3-7,11H,1-2H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate?
methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate has a molecular weight of 265.70 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-(5-methyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 70413530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).