5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine

C17H14N6O — CID 133481887

IUPAC5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(NCc3ccnc(-n4cccn4)c3)no2)cc1
InChIInChI=1S/C17H14N6O/c1-2-5-14(6-3-1)16-21-17(22-24-16)19-12-13-7-9-18-15(11-13)23-10-4-8-20-23/h1-11H,12H2,(H,19,22)
InChIKeyRXBZFZOMARBCLT-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.93
Rot. Bonds5

About 5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine

5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 133481887) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID133481887
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(NCc3ccnc(-n4cccn4)c3)no2)cc1
InChIInChI=1S/C17H14N6O/c1-2-5-14(6-3-1)16-21-17(22-24-16)19-12-13-7-9-18-15(11-13)23-10-4-8-20-23/h1-11H,12H2,(H,19,22)
InChIKeyRXBZFZOMARBCLT-UHFFFAOYSA-N
XLogP2.93
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine (CID 133481887) is 5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine is c1ccc(-c2nc(NCc3ccnc(-n4cccn4)c3)no2)cc1.
What is the InChIKey of 5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is RXBZFZOMARBCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-2-5-14(6-3-1)16-21-17(22-24-16)19-12-13-7-9-18-15(11-13)23-10-4-8-20-23/h1-11H,12H2,(H,19,22).
What are the key properties of 5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine?
5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 318.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133481887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).