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

C13H7Cl2FN2O2 — CID 106690672

IUPAC4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)o2)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H7Cl2FN2O2/c14-8-5-6(16)1-2-7(8)11-12(20-18-13(11)17)9-3-4-10(15)19-9/h1-5H,(H2,17,18)
InChIKeyLCMOXBBHKNVRBZ-UHFFFAOYSA-N
MW313.12 g/mol
LogP4.63
Rot. Bonds2

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

4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine (PubChem CID 106690672) has the molecular formula C13H7Cl2FN2O2 and a molecular weight of 313.12 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
PubChem CID106690672
Molecular FormulaC13H7Cl2FN2O2
Molecular Weight313.12 g/mol
Exact Mass311.99
IUPAC Name4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)o2)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H7Cl2FN2O2/c14-8-5-6(16)1-2-7(8)11-12(20-18-13(11)17)9-3-4-10(15)19-9/h1-5H,(H2,17,18)
InChIKeyLCMOXBBHKNVRBZ-UHFFFAOYSA-N
XLogP4.63
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-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

Related Compounds

5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 106690632
5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 66199685
4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine
CID 107967195
5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200957
5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199197
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274
5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 106690678
4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine
CID 66199892
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
CID 66201306
5-(5-chlorofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 106690695
4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
CID 106690658

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine (CID 106690672) is 4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Cl)o2)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine?
The InChIKey is LCMOXBBHKNVRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O2/c14-8-5-6(16)1-2-7(8)11-12(20-18-13(11)17)9-3-4-10(15)19-9/h1-5H,(H2,17,18).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine?
4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine has a molecular weight of 313.12 g/mol, XLogP of 4.63, 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-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 106690672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).