2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile

C17H13FN4O — CID 51106990

IUPAC2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN4O/c18-14-5-3-12(4-6-14)17-22-15(11-23-17)7-9-21-16-13(10-19)2-1-8-20-16/h1-6,8,11H,7,9H2,(H,20,21)
InChIKeyVXODQCNCAUQWQC-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.40
Rot. Bonds5

About 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile

2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile (PubChem CID 51106990) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile
PubChem CID51106990
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN4O/c18-14-5-3-12(4-6-14)17-22-15(11-23-17)7-9-21-16-13(10-19)2-1-8-20-16/h1-6,8,11H,7,9H2,(H,20,21)
InChIKeyVXODQCNCAUQWQC-UHFFFAOYSA-N
XLogP3.40
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile (CID 51106990) is 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile?
The InChIKey is VXODQCNCAUQWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c18-14-5-3-12(4-6-14)17-22-15(11-23-17)7-9-21-16-13(10-19)2-1-8-20-16/h1-6,8,11H,7,9H2,(H,20,21).
What are the key properties of 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile?
2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile has a molecular weight of 308.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 51106990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).