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

C16H11FN6O — CID 118110224

IUPAC3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2)cc1-c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H11FN6O/c17-12-3-1-9(2-4-12)15-22-23-16(24-15)13-5-10(6-19-14(13)18)11-7-20-21-8-11/h1-8H,(H2,18,19)(H,20,21)
InChIKeyVMQUDSYSZTXZRK-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.91
Rot. Bonds3

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

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 118110224) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID118110224
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2)cc1-c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H11FN6O/c17-12-3-1-9(2-4-12)15-22-23-16(24-15)13-5-10(6-19-14(13)18)11-7-20-21-8-11/h1-8H,(H2,18,19)(H,20,21)
InChIKeyVMQUDSYSZTXZRK-UHFFFAOYSA-N
XLogP2.91
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine (CID 118110224) is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cn[nH]c2)cc1-c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is VMQUDSYSZTXZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-12-3-1-9(2-4-12)15-22-23-16(24-15)13-5-10(6-19-14(13)18)11-7-20-21-8-11/h1-8H,(H2,18,19)(H,20,21).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 322.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 118110224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).