5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile

C16H12N4O — CID 86805393

IUPAC5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cc(-c3ccccc3)on2)cn1
InChIInChI=1S/C16H12N4O/c17-9-13-6-7-14(10-18-13)19-11-15-8-16(21-20-15)12-4-2-1-3-5-12/h1-8,10,19H,11H2
InChIKeySTFYOJGNWDEKKV-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.22
Rot. Bonds4

About 5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile

5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 86805393) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile
PubChem CID86805393
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cc(-c3ccccc3)on2)cn1
InChIInChI=1S/C16H12N4O/c17-9-13-6-7-14(10-18-13)19-11-15-8-16(21-20-15)12-4-2-1-3-5-12/h1-8,10,19H,11H2
InChIKeySTFYOJGNWDEKKV-UHFFFAOYSA-N
XLogP3.22
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile (CID 86805393) is 5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCc2cc(-c3ccccc3)on2)cn1.
What is the InChIKey of 5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is STFYOJGNWDEKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-9-13-6-7-14(10-18-13)19-11-15-8-16(21-20-15)12-4-2-1-3-5-12/h1-8,10,19H,11H2.
What are the key properties of 5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile?
5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 86805393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).