ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate

C12H10ClNO3 — CID 53407303

IUPACethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C12H10ClNO3/c1-2-16-12(15)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKeySYBXCOYUUMNILH-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.17
Rot. Bonds3

About ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate

ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate (PubChem CID 53407303) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
PubChem CID53407303
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Nameethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C12H10ClNO3/c1-2-16-12(15)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKeySYBXCOYUUMNILH-UHFFFAOYSA-N
XLogP3.17
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate (CID 53407303) is ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2ccccc2Cl)n1.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is SYBXCOYUUMNILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-2-16-12(15)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate?
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 251.67 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 53407303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).