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

C13H6Cl3FN2OS — CID 107967195

IUPAC4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)sc2Cl)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H6Cl3FN2OS/c14-8-3-5(17)1-2-6(8)10-11(20-19-13(10)18)7-4-9(15)21-12(7)16/h1-4H,(H2,18,19)
InChIKeyOMOFIWUNFWHIOO-UHFFFAOYSA-N
MW363.63 g/mol
LogP5.75
Rot. Bonds2

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

4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine (PubChem CID 107967195) has the molecular formula C13H6Cl3FN2OS and a molecular weight of 363.63 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine
PubChem CID107967195
Molecular FormulaC13H6Cl3FN2OS
Molecular Weight363.63 g/mol
Exact Mass361.93
IUPAC Name4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)sc2Cl)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H6Cl3FN2OS/c14-8-3-5(17)1-2-6(8)10-11(20-19-13(10)18)7-4-9(15)21-12(7)16/h1-4H,(H2,18,19)
InChIKeyOMOFIWUNFWHIOO-UHFFFAOYSA-N
XLogP5.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-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-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 66199685
4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
CID 106690672
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274
5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199197
5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 107967198
4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine
CID 66199892
5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 107962721
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
4-(2,4-difluorophenyl)-5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66202082
4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66201498
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213
5-(4-bromo-2-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199777

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine (CID 107967195) is 4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(Cl)sc2Cl)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine?
The InChIKey is OMOFIWUNFWHIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FN2OS/c14-8-3-5(17)1-2-6(8)10-11(20-19-13(10)18)7-4-9(15)21-12(7)16/h1-4H,(H2,18,19).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine?
4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine has a molecular weight of 363.63 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 107967195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).