5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile

C10H5F2N3O — CID 117315098

IUPAC5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile
SMILESN#Cc1cc(-c2cc(N)on2)c(F)cc1F
InChIInChI=1S/C10H5F2N3O/c11-7-2-8(12)6(1-5(7)4-13)9-3-10(14)16-15-9/h1-3H,14H2
InChIKeyUWCHBGIMQOPZJU-UHFFFAOYSA-N
MW221.17 g/mol
LogP2.07
Rot. Bonds1

About 5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile

5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile (PubChem CID 117315098) has the molecular formula C10H5F2N3O and a molecular weight of 221.17 g/mol. Its IUPAC name is 5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile.

Molecular Properties

Compound Name5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile
PubChem CID117315098
Molecular FormulaC10H5F2N3O
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile
SMILESN#Cc1cc(-c2cc(N)on2)c(F)cc1F
InChIInChI=1S/C10H5F2N3O/c11-7-2-8(12)6(1-5(7)4-13)9-3-10(14)16-15-9/h1-3H,14H2
InChIKeyUWCHBGIMQOPZJU-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-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile?
The IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile (CID 117315098) is 5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile.
What is the SMILES notation for 5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile?
The canonical SMILES for 5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile is N#Cc1cc(-c2cc(N)on2)c(F)cc1F.
What is the InChIKey of 5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile?
The InChIKey is UWCHBGIMQOPZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N3O/c11-7-2-8(12)6(1-5(7)4-13)9-3-10(14)16-15-9/h1-3H,14H2.
What are the key properties of 5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile?
5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile 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-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile is sourced from PubChem (CID 117315098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).