2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile

C17H13FN4O — CID 2408631

IUPAC2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1NCCc1ccccn1
InChIInChI=1S/C17H13FN4O/c18-14-7-2-1-6-13(14)16-22-15(11-19)17(23-16)21-10-8-12-5-3-4-9-20-12/h1-7,9,21H,8,10H2
InChIKeyCETOZKSKZYJFQU-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.40
Rot. Bonds5

About 2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile

2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 2408631) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID2408631
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1NCCc1ccccn1
InChIInChI=1S/C17H13FN4O/c18-14-7-2-1-6-13(14)16-22-15(11-19)17(23-16)21-10-8-12-5-3-4-9-20-12/h1-7,9,21H,8,10H2
InChIKeyCETOZKSKZYJFQU-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-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 2408631) is 2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2F)oc1NCCc1ccccn1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is CETOZKSKZYJFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c18-14-7-2-1-6-13(14)16-22-15(11-19)17(23-16)21-10-8-12-5-3-4-9-20-12/h1-7,9,21H,8,10H2.
What are the key properties of 2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile?
2-(2-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-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-fluorophenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2408631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).