4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

C19H14FN3O2 — CID 139409694

IUPAC4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESFc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1
InChIInChI=1S/C19H14FN3O2/c20-14-8-6-13(7-9-14)12-24-16-4-1-5-17-18(16)19(23-25-17)22-15-3-2-10-21-11-15/h1-11H,12H2,(H,22,23)
InChIKeyKIQFLLDSKOZNIQ-UHFFFAOYSA-N
MW335.34 g/mol
LogP4.68
Rot. Bonds5

About 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 139409694) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID139409694
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESFc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1
InChIInChI=1S/C19H14FN3O2/c20-14-8-6-13(7-9-14)12-24-16-4-1-5-17-18(16)19(23-25-17)22-15-3-2-10-21-11-15/h1-11H,12H2,(H,22,23)
InChIKeyKIQFLLDSKOZNIQ-UHFFFAOYSA-N
XLogP4.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 139409694) is 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is Fc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is KIQFLLDSKOZNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-14-8-6-13(7-9-14)12-24-16-4-1-5-17-18(16)19(23-25-17)22-15-3-2-10-21-11-15/h1-11H,12H2,(H,22,23).
What are the key properties of 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 335.34 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 139409694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).