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

C23H17FN6O — CID 167955720

IUPACN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2CNc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C23H17FN6O/c24-19-8-6-16(7-9-19)21-18(15-30(29-21)20-4-2-1-3-5-20)14-26-23-28-27-22(31-23)17-10-12-25-13-11-17/h1-13,15H,14H2,(H,26,28)
InChIKeyJUNCNPBLSPLNGJ-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.74
Rot. Bonds6

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

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 167955720) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID167955720
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2CNc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C23H17FN6O/c24-19-8-6-16(7-9-19)21-18(15-30(29-21)20-4-2-1-3-5-20)14-26-23-28-27-22(31-23)17-10-12-25-13-11-17/h1-13,15H,14H2,(H,26,28)
InChIKeyJUNCNPBLSPLNGJ-UHFFFAOYSA-N
XLogP4.74
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 167955720) is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is Fc1ccc(-c2nn(-c3ccccc3)cc2CNc2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is JUNCNPBLSPLNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O/c24-19-8-6-16(7-9-19)21-18(15-30(29-21)20-4-2-1-3-5-20)14-26-23-28-27-22(31-23)17-10-12-25-13-11-17/h1-13,15H,14H2,(H,26,28).
What are the key properties of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 412.43 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167955720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).