4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine

C15H12Cl2N2OS — CID 66198818

IUPAC4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCCc1ccc(-c2onc(N)c2-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C15H12Cl2N2OS/c1-2-9-4-6-12(21-9)14-13(15(18)19-20-14)8-3-5-10(16)11(17)7-8/h3-7H,2H2,1H3,(H2,18,19)
InChIKeyBZHLJUUYLJAXLP-UHFFFAOYSA-N
MW339.25 g/mol
LogP5.52
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine

4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 66198818) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID66198818
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCCc1ccc(-c2onc(N)c2-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C15H12Cl2N2OS/c1-2-9-4-6-12(21-9)14-13(15(18)19-20-14)8-3-5-10(16)11(17)7-8/h3-7H,2H2,1H3,(H2,18,19)
InChIKeyBZHLJUUYLJAXLP-UHFFFAOYSA-N
XLogP5.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.25
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine (CID 66198818) is 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine is CCc1ccc(-c2onc(N)c2-c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is BZHLJUUYLJAXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c1-2-9-4-6-12(21-9)14-13(15(18)19-20-14)8-3-5-10(16)11(17)7-8/h3-7H,2H2,1H3,(H2,18,19).
What are the key properties of 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 339.25 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).