N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

C17H13FN6O — CID 75507705

IUPACN-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESFc1ccccc1-c1[nH]ncc1CNc1nnc(-c2ccncc2)o1
InChIInChI=1S/C17H13FN6O/c18-14-4-2-1-3-13(14)15-12(10-21-22-15)9-20-17-24-23-16(25-17)11-5-7-19-8-6-11/h1-8,10H,9H2,(H,20,24)(H,21,22)
InChIKeyGWHQODFVWXDLKY-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.27
Rot. Bonds5

About N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75507705) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID75507705
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC NameN-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESFc1ccccc1-c1[nH]ncc1CNc1nnc(-c2ccncc2)o1
InChIInChI=1S/C17H13FN6O/c18-14-4-2-1-3-13(14)15-12(10-21-22-15)9-20-17-24-23-16(25-17)11-5-7-19-8-6-11/h1-8,10H,9H2,(H,20,24)(H,21,22)
InChIKeyGWHQODFVWXDLKY-UHFFFAOYSA-N
XLogP3.27
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 75507705) is N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is Fc1ccccc1-c1[nH]ncc1CNc1nnc(-c2ccncc2)o1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is GWHQODFVWXDLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c18-14-4-2-1-3-13(14)15-12(10-21-22-15)9-20-17-24-23-16(25-17)11-5-7-19-8-6-11/h1-8,10H,9H2,(H,20,24)(H,21,22).
What are the key properties of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 336.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75507705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).