ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate

C12H10Cl2N2O3 — CID 91872842

IUPACethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O3/c1-2-18-12(17)10-9(11(15)19-16-10)6-3-4-7(13)8(14)5-6/h3-5H,2,15H2,1H3
InChIKeySZJZXQHWJKYKGQ-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.41
Rot. Bonds3

About ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate

ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate (PubChem CID 91872842) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
PubChem CID91872842
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Nameethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O3/c1-2-18-12(17)10-9(11(15)19-16-10)6-3-4-7(13)8(14)5-6/h3-5H,2,15H2,1H3
InChIKeySZJZXQHWJKYKGQ-UHFFFAOYSA-N
XLogP3.41
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate (CID 91872842) is ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(N)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is SZJZXQHWJKYKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c1-2-18-12(17)10-9(11(15)19-16-10)6-3-4-7(13)8(14)5-6/h3-5H,2,15H2,1H3.
What are the key properties of ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate?
ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 301.13 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 91872842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).