2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline

C12H8FN5O — CID 115528928

IUPAC2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1c(F)cccc1-c1nc(-c2ccncn2)no1
InChIInChI=1S/C12H8FN5O/c13-8-3-1-2-7(10(8)14)12-17-11(18-19-12)9-4-5-15-6-16-9/h1-6H,14H2
InChIKeyNPBRECVFOZODDG-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.91
Rot. Bonds2

About 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline

2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 115528928) has the molecular formula C12H8FN5O and a molecular weight of 257.23 g/mol. Its IUPAC name is 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID115528928
Molecular FormulaC12H8FN5O
Molecular Weight257.23 g/mol
Exact Mass257.07
IUPAC Name2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1c(F)cccc1-c1nc(-c2ccncn2)no1
InChIInChI=1S/C12H8FN5O/c13-8-3-1-2-7(10(8)14)12-17-11(18-19-12)9-4-5-15-6-16-9/h1-6H,14H2
InChIKeyNPBRECVFOZODDG-UHFFFAOYSA-N
XLogP1.91
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 106526414
2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012864
2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 81497947
2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile
CID 106526421
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
CID 113329157
3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
CID 67199596
2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107051015
5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 115528772
3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058186
2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012853
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 107706890
[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 115528746

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline (CID 115528928) is 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline is Nc1c(F)cccc1-c1nc(-c2ccncn2)no1.
What is the InChIKey of 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is NPBRECVFOZODDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O/c13-8-3-1-2-7(10(8)14)12-17-11(18-19-12)9-4-5-15-6-16-9/h1-6H,14H2.
What are the key properties of 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 257.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 115528928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).