4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine

C13H7Cl2FN2OS — CID 80645373

IUPAC4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2sccc2Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H7Cl2FN2OS/c14-6-2-1-3-8(16)9(6)10-11(18-19-13(10)17)12-7(15)4-5-20-12/h1-5H,17H2
InChIKeyWPYIBEXMNMNRIX-UHFFFAOYSA-N
MW329.18 g/mol
LogP5.10
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine

4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 80645373) has the molecular formula C13H7Cl2FN2OS and a molecular weight of 329.18 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID80645373
Molecular FormulaC13H7Cl2FN2OS
Molecular Weight329.18 g/mol
Exact Mass327.96
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2sccc2Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H7Cl2FN2OS/c14-6-2-1-3-8(16)9(6)10-11(18-19-13(10)17)12-7(15)4-5-20-12/h1-5H,17H2
InChIKeyWPYIBEXMNMNRIX-UHFFFAOYSA-N
XLogP5.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.18
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine (CID 80645373) is 4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine is Nc1onc(-c2sccc2Cl)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is WPYIBEXMNMNRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2OS/c14-6-2-1-3-8(16)9(6)10-11(18-19-13(10)17)12-7(15)4-5-20-12/h1-5H,17H2.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 329.18 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 80645373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).