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

C12H10ClFN2O3 — CID 81262078

IUPACethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(Cl)c2F)oc1N
InChIInChI=1S/C12H10ClFN2O3/c1-2-18-12(17)9-10(15)19-11(16-9)6-4-3-5-7(13)8(6)14/h3-5H,2,15H2,1H3
InChIKeyNQHYVNAFKQJJJN-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.89
Rot. Bonds3

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

ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate (PubChem CID 81262078) has the molecular formula C12H10ClFN2O3 and a molecular weight of 284.67 g/mol. Its IUPAC name is ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate
PubChem CID81262078
Molecular FormulaC12H10ClFN2O3
Molecular Weight284.67 g/mol
Exact Mass284.04
IUPAC Nameethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(Cl)c2F)oc1N
InChIInChI=1S/C12H10ClFN2O3/c1-2-18-12(17)9-10(15)19-11(16-9)6-4-3-5-7(13)8(6)14/h3-5H,2,15H2,1H3
InChIKeyNQHYVNAFKQJJJN-UHFFFAOYSA-N
XLogP2.89
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 66008471
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CID 107967052
ethyl 2-(2,3-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199087
ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 66009506
ethyl 5-amino-1-(3-chloro-2-fluorophenyl)triazole-4-carboxylate
CID 71255710
ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007439
ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007853
ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate
CID 66008266
ethyl 5-chloro-1-(3-chloro-2-fluorophenyl)triazole-4-carboxylate
CID 71255453
ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 53271473
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
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CID 66010372

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate (CID 81262078) is ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2cccc(Cl)c2F)oc1N.
What is the InChIKey of ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is NQHYVNAFKQJJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3/c1-2-18-12(17)9-10(15)19-11(16-9)6-4-3-5-7(13)8(6)14/h3-5H,2,15H2,1H3.
What are the key properties of ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 284.67 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 81262078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).