2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

C20H12F2N2O2 — CID 652365

IUPAC2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1F
InChIInChI=1S/C20H12F2N2O2/c21-13-7-5-12(6-8-13)20-24-17-11-14(9-10-18(17)26-20)23-19(25)15-3-1-2-4-16(15)22/h1-11H,(H,23,25)
InChIKeyYWWNWWVJOHGWQH-UHFFFAOYSA-N
MW350.32 g/mol
LogP5.03
Rot. Bonds3

About 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 652365) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID652365
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC Name2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1F
InChIInChI=1S/C20H12F2N2O2/c21-13-7-5-12(6-8-13)20-24-17-11-14(9-10-18(17)26-20)23-19(25)15-3-1-2-4-16(15)22/h1-11H,(H,23,25)
InChIKeyYWWNWWVJOHGWQH-UHFFFAOYSA-N
XLogP5.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 652365) is 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is YWWNWWVJOHGWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-13-7-5-12(6-8-13)20-24-17-11-14(9-10-18(17)26-20)23-19(25)15-3-1-2-4-16(15)22/h1-11H,(H,23,25).
What are the key properties of 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 350.32 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 652365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).