4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine

C10H6ClF3N2O — CID 12960075

IUPAC4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C10H6ClF3N2O/c11-7-8(17-16-9(7)15)5-1-3-6(4-2-5)10(12,13)14/h1-4H,(H2,15,16)
InChIKeyQHYHPTCLIWWWCA-UHFFFAOYSA-N
MW262.62 g/mol
LogP3.60
Rot. Bonds1

About 4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine

4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 12960075) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID12960075
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C10H6ClF3N2O/c11-7-8(17-16-9(7)15)5-1-3-6(4-2-5)10(12,13)14/h1-4H,(H2,15,16)
InChIKeyQHYHPTCLIWWWCA-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-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine (CID 12960075) is 4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine is Nc1noc(-c2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is QHYHPTCLIWWWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c11-7-8(17-16-9(7)15)5-1-3-6(4-2-5)10(12,13)14/h1-4H,(H2,15,16).
What are the key properties of 4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
4-chloro-5-[4-(trifluoromethyl)phenyl]-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-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 12960075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).