3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile

C16H10FN3O — CID 162648129

IUPAC3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C16H10FN3O/c17-13-4-6-14(7-5-13)20-16-19-10-15(21-16)12-3-1-2-11(8-12)9-18/h1-8,10H,(H,19,20)
InChIKeyHZNDXJAKOZNREU-UHFFFAOYSA-N
MW279.27 g/mol
LogP4.10
Rot. Bonds3

About 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile

3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile (PubChem CID 162648129) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile
PubChem CID162648129
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C16H10FN3O/c17-13-4-6-14(7-5-13)20-16-19-10-15(21-16)12-3-1-2-11(8-12)9-18/h1-8,10H,(H,19,20)
InChIKeyHZNDXJAKOZNREU-UHFFFAOYSA-N
XLogP4.10
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile?
The IUPAC name of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile (CID 162648129) is 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile.
What is the SMILES notation for 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile?
The canonical SMILES for 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile is N#Cc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.
What is the InChIKey of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile?
The InChIKey is HZNDXJAKOZNREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-13-4-6-14(7-5-13)20-16-19-10-15(21-16)12-3-1-2-11(8-12)9-18/h1-8,10H,(H,19,20).
What are the key properties of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile?
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile has a molecular weight of 279.27 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 162648129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).