7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine

C13H8ClFN2O — CID 82233186

IUPAC7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine
SMILESNc1cc(Cl)c2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C13H8ClFN2O/c14-10-5-9(16)6-11-12(10)18-13(17-11)7-1-3-8(15)4-2-7/h1-6H,16H2
InChIKeyPFRZCVRBMSOLBS-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.87
Rot. Bonds1

About 7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine

7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine (PubChem CID 82233186) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine
PubChem CID82233186
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine
SMILESNc1cc(Cl)c2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C13H8ClFN2O/c14-10-5-9(16)6-11-12(10)18-13(17-11)7-1-3-8(15)4-2-7/h1-6H,16H2
InChIKeyPFRZCVRBMSOLBS-UHFFFAOYSA-N
XLogP3.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine (CID 82233186) is 7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine is Nc1cc(Cl)c2oc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine?
The InChIKey is PFRZCVRBMSOLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-10-5-9(16)6-11-12(10)18-13(17-11)7-1-3-8(15)4-2-7/h1-6H,16H2.
What are the key properties of 7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine?
7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine has a molecular weight of 262.67 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82233186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).