dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate

C14H12ClNO5 — CID 102953690

IUPACdimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2cccc(C)c2Cl)oc1C(=O)OC
InChIInChI=1S/C14H12ClNO5/c1-7-5-4-6-8(9(7)15)12-16-10(13(17)19-2)11(21-12)14(18)20-3/h4-6H,1-3H3
InChIKeySEZWPZSLOXSOFX-UHFFFAOYSA-N
MW309.71 g/mol
LogP2.88
Rot. Bonds3

About dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953690) has the molecular formula C14H12ClNO5 and a molecular weight of 309.71 g/mol. Its IUPAC name is dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953690
Molecular FormulaC14H12ClNO5
Molecular Weight309.71 g/mol
Exact Mass309.04
IUPAC Namedimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2cccc(C)c2Cl)oc1C(=O)OC
InChIInChI=1S/C14H12ClNO5/c1-7-5-4-6-8(9(7)15)12-16-10(13(17)19-2)11(21-12)14(18)20-3/h4-6H,1-3H3
InChIKeySEZWPZSLOXSOFX-UHFFFAOYSA-N
XLogP2.88
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate (CID 102953690) is dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(-c2cccc(C)c2Cl)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is SEZWPZSLOXSOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5/c1-7-5-4-6-8(9(7)15)12-16-10(13(17)19-2)11(21-12)14(18)20-3/h4-6H,1-3H3.
What are the key properties of dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 309.71 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).