4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine

C13H8Cl2N2OS — CID 62276503

IUPAC4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)s2)c1-c1ccccc1Cl
InChIInChI=1S/C13H8Cl2N2OS/c14-8-4-2-1-3-7(8)11-12(17-18-13(11)16)9-5-6-10(15)19-9/h1-6H,16H2
InChIKeyJYODAKHVASJNIL-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.96
Rot. Bonds2

About 4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine

4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 62276503) has the molecular formula C13H8Cl2N2OS and a molecular weight of 311.19 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID62276503
Molecular FormulaC13H8Cl2N2OS
Molecular Weight311.19 g/mol
Exact Mass309.97
IUPAC Name4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)s2)c1-c1ccccc1Cl
InChIInChI=1S/C13H8Cl2N2OS/c14-8-4-2-1-3-7(8)11-12(17-18-13(11)16)9-5-6-10(15)19-9/h1-6H,16H2
InChIKeyJYODAKHVASJNIL-UHFFFAOYSA-N
XLogP4.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine (CID 62276503) is 4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Cl)s2)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is JYODAKHVASJNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2OS/c14-8-4-2-1-3-7(8)11-12(17-18-13(11)16)9-5-6-10(15)19-9/h1-6H,16H2.
What are the key properties of 4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 311.19 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62276503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).