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

C19H18FN7O — CID 45227696

IUPAC5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine
SMILESCC(Cn1cncn1)Nc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1
InChIInChI=1S/C19H18FN7O/c1-13(10-27-12-21-11-23-27)24-17-7-4-15(9-22-17)19-25-18(26-28-19)8-14-2-5-16(20)6-3-14/h2-7,9,11-13H,8,10H2,1H3,(H,22,24)
InChIKeyFLULGLMMTIHUFI-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.95
Rot. Bonds7

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

5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine (PubChem CID 45227696) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine
PubChem CID45227696
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine
SMILESCC(Cn1cncn1)Nc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1
InChIInChI=1S/C19H18FN7O/c1-13(10-27-12-21-11-23-27)24-17-7-4-15(9-22-17)19-25-18(26-28-19)8-14-2-5-16(20)6-3-14/h2-7,9,11-13H,8,10H2,1H3,(H,22,24)
InChIKeyFLULGLMMTIHUFI-UHFFFAOYSA-N
XLogP2.95
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine (CID 45227696) is 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine is CC(Cn1cncn1)Nc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1.
What is the InChIKey of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine?
The InChIKey is FLULGLMMTIHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-13(10-27-12-21-11-23-27)24-17-7-4-15(9-22-17)19-25-18(26-28-19)8-14-2-5-16(20)6-3-14/h2-7,9,11-13H,8,10H2,1H3,(H,22,24).
What are the key properties of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine?
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine has a molecular weight of 379.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 45227696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).