4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine

C15H9ClN2OS2 — CID 80738631

IUPAC4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc3sccc3s2)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H9ClN2OS2/c16-9-3-1-2-8(6-9)13-14(19-18-15(13)17)12-7-11-10(21-12)4-5-20-11/h1-7H,(H2,17,18)
InChIKeyXGUJBBBXMUYCAJ-UHFFFAOYSA-N
MW332.84 g/mol
LogP5.52
Rot. Bonds2

About 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine

4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine (PubChem CID 80738631) has the molecular formula C15H9ClN2OS2 and a molecular weight of 332.84 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
PubChem CID80738631
Molecular FormulaC15H9ClN2OS2
Molecular Weight332.84 g/mol
Exact Mass331.98
IUPAC Name4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc3sccc3s2)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H9ClN2OS2/c16-9-3-1-2-8(6-9)13-14(19-18-15(13)17)12-7-11-10(21-12)4-5-20-11/h1-7H,(H2,17,18)
InChIKeyXGUJBBBXMUYCAJ-UHFFFAOYSA-N
XLogP5.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.84
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-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

Related Compounds

5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 80739587
4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 80642541
4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
CID 66200502
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
CID 113490807
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703
4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 66198052
4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198897
5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 106856445
4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199218

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine (CID 80738631) is 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine is Nc1noc(-c2cc3sccc3s2)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine?
The InChIKey is XGUJBBBXMUYCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2OS2/c16-9-3-1-2-8(6-9)13-14(19-18-15(13)17)12-7-11-10(21-12)4-5-20-11/h1-7H,(H2,17,18).
What are the key properties of 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine?
4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine has a molecular weight of 332.84 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80738631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).