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

C10H8Cl2N2O3S — CID 107967052

IUPACethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(Cl)sc2Cl)oc1N
InChIInChI=1S/C10H8Cl2N2O3S/c1-2-16-10(15)6-8(13)17-9(14-6)4-3-5(11)18-7(4)12/h3H,2,13H2,1H3
InChIKeyBYYFHUCFNKUNPK-UHFFFAOYSA-N
MW307.16 g/mol
LogP3.47
Rot. Bonds3

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

ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 107967052) has the molecular formula C10H8Cl2N2O3S and a molecular weight of 307.16 g/mol. Its IUPAC name is ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID107967052
Molecular FormulaC10H8Cl2N2O3S
Molecular Weight307.16 g/mol
Exact Mass305.96
IUPAC Nameethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(Cl)sc2Cl)oc1N
InChIInChI=1S/C10H8Cl2N2O3S/c1-2-16-10(15)6-8(13)17-9(14-6)4-3-5(11)18-7(4)12/h3H,2,13H2,1H3
InChIKeyBYYFHUCFNKUNPK-UHFFFAOYSA-N
XLogP3.47
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2,5-dichlorothiophen-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 107967024
ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 66008471
ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 66009506
ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 81262078
ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate
CID 66008266
ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007439
ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 66126518
ethyl 5-amino-2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxylate
CID 66010372
ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007853
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
diethyl 2-chloro-1,3-thiazole-4,5-dicarboxylate
CID 15009545
ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
CID 159620918

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate (CID 107967052) is ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2cc(Cl)sc2Cl)oc1N.
What is the InChIKey of ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is BYYFHUCFNKUNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3S/c1-2-16-10(15)6-8(13)17-9(14-6)4-3-5(11)18-7(4)12/h3H,2,13H2,1H3.
What are the key properties of ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 307.16 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 107967052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).