5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine

C12H8FN5O — CID 162655911

IUPAC5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3ncccn3)o2)cc1
InChIInChI=1S/C12H8FN5O/c13-9-4-2-8(3-5-9)10-17-18-12(19-10)16-11-14-6-1-7-15-11/h1-7H,(H,14,15,16,18)
InChIKeyXIIITDFMPLDPLP-UHFFFAOYSA-N
MW257.23 g/mol
LogP2.41
Rot. Bonds3

About 5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine

5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 162655911) has the molecular formula C12H8FN5O and a molecular weight of 257.23 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID162655911
Molecular FormulaC12H8FN5O
Molecular Weight257.23 g/mol
Exact Mass257.07
IUPAC Name5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3ncccn3)o2)cc1
InChIInChI=1S/C12H8FN5O/c13-9-4-2-8(3-5-9)10-17-18-12(19-10)16-11-14-6-1-7-15-11/h1-7H,(H,14,15,16,18)
InChIKeyXIIITDFMPLDPLP-UHFFFAOYSA-N
XLogP2.41
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2492511
2-fluoro-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3463675
4-Methyl-N-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]benzamide
CID 5175267
2-(2-fluorophenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
CID 45784107
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56658047
2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56664976
N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 56668409
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56671918
N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 56671919
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56671920
N-hydroxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrimidine-5-carboxamide
CID 56675295

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (CID 162655911) is 5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is Fc1ccc(-c2nnc(Nc3ncccn3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is XIIITDFMPLDPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O/c13-9-4-2-8(3-5-9)10-17-18-12(19-10)16-11-14-6-1-7-15-11/h1-7H,(H,14,15,16,18).
What are the key properties of 5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 257.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162655911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).