5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine

C20H15F2N3O — CID 11725484

IUPAC5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine
SMILESFc1ccc(CC(Nc2nc3cc(F)ccc3o2)c2ccccn2)cc1
InChIInChI=1S/C20H15F2N3O/c21-14-6-4-13(5-7-14)11-17(16-3-1-2-10-23-16)24-20-25-18-12-15(22)8-9-19(18)26-20/h1-10,12,17H,11H2,(H,24,25)
InChIKeyHWCLMWFDQHJAKC-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.90
Rot. Bonds5

About 5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine

5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine (PubChem CID 11725484) has the molecular formula C20H15F2N3O and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine
PubChem CID11725484
Molecular FormulaC20H15F2N3O
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine
SMILESFc1ccc(CC(Nc2nc3cc(F)ccc3o2)c2ccccn2)cc1
InChIInChI=1S/C20H15F2N3O/c21-14-6-4-13(5-7-14)11-17(16-3-1-2-10-23-16)24-20-25-18-12-15(22)8-9-19(18)26-20/h1-10,12,17H,11H2,(H,24,25)
InChIKeyHWCLMWFDQHJAKC-UHFFFAOYSA-N
XLogP4.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine (CID 11725484) is 5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine is Fc1ccc(CC(Nc2nc3cc(F)ccc3o2)c2ccccn2)cc1.
What is the InChIKey of 5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine?
The InChIKey is HWCLMWFDQHJAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O/c21-14-6-4-13(5-7-14)11-17(16-3-1-2-10-23-16)24-20-25-18-12-15(22)8-9-19(18)26-20/h1-10,12,17H,11H2,(H,24,25).
What are the key properties of 5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine?
5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine has a molecular weight of 351.36 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 11725484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).