5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile

C10H5F2N3O — CID 59587501

IUPAC5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2c(F)cccc2F)oc1N
InChIInChI=1S/C10H5F2N3O/c11-5-2-1-3-6(12)8(5)10-15-7(4-13)9(14)16-10/h1-3H,14H2
InChIKeyFAFPTSJFTPIYBJ-UHFFFAOYSA-N
MW221.17 g/mol
LogP2.07
Rot. Bonds1

About 5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile

5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 59587501) has the molecular formula C10H5F2N3O and a molecular weight of 221.17 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile
PubChem CID59587501
Molecular FormulaC10H5F2N3O
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2c(F)cccc2F)oc1N
InChIInChI=1S/C10H5F2N3O/c11-5-2-1-3-6(12)8(5)10-15-7(4-13)9(14)16-10/h1-3H,14H2
InChIKeyFAFPTSJFTPIYBJ-UHFFFAOYSA-N
XLogP2.07
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile (CID 59587501) is 5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2c(F)cccc2F)oc1N.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is FAFPTSJFTPIYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N3O/c11-5-2-1-3-6(12)8(5)10-15-7(4-13)9(14)16-10/h1-3H,14H2.
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 221.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 59587501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).