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

C10H6ClF3N2O — CID 15613896

IUPAC4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESNc1noc(C(F)(F)F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClF3N2O/c11-6-3-1-5(2-4-6)7-8(10(12,13)14)17-16-9(7)15/h1-4H,(H2,15,16)
InChIKeyBGPGKFNXIOSGKL-UHFFFAOYSA-N
MW262.62 g/mol
LogP3.60
Rot. Bonds1

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

4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine (PubChem CID 15613896) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
PubChem CID15613896
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESNc1noc(C(F)(F)F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClF3N2O/c11-6-3-1-5(2-4-6)7-8(10(12,13)14)17-16-9(7)15/h1-4H,(H2,15,16)
InChIKeyBGPGKFNXIOSGKL-UHFFFAOYSA-N
XLogP3.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine (CID 15613896) is 4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine is Nc1noc(C(F)(F)F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The InChIKey is BGPGKFNXIOSGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c11-6-3-1-5(2-4-6)7-8(10(12,13)14)17-16-9(7)15/h1-4H,(H2,15,16).
What are the key properties of 4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine has a molecular weight of 262.62 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 15613896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).