3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile

C16H11N3O — CID 5329845

IUPAC3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H11N3O/c17-10-12-5-4-8-14(9-12)19-16-18-11-15(20-16)13-6-2-1-3-7-13/h1-9,11H,(H,18,19)
InChIKeyVZMXZHOJAGFSNF-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.96
Rot. Bonds3

About 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile

3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile (PubChem CID 5329845) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile
PubChem CID5329845
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H11N3O/c17-10-12-5-4-8-14(9-12)19-16-18-11-15(20-16)13-6-2-1-3-7-13/h1-9,11H,(H,18,19)
InChIKeyVZMXZHOJAGFSNF-UHFFFAOYSA-N
XLogP3.96
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile?
The IUPAC name of 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile (CID 5329845) is 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile?
The canonical SMILES for 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile is N#Cc1cccc(Nc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile?
The InChIKey is VZMXZHOJAGFSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c17-10-12-5-4-8-14(9-12)19-16-18-11-15(20-16)13-6-2-1-3-7-13/h1-9,11H,(H,18,19).
What are the key properties of 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile?
3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile has a molecular weight of 261.28 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile is sourced from PubChem (CID 5329845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).