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

C14H10F2N4O — CID 64559058

IUPAC5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(Cc3ccc(F)cc3F)no2)cn1
InChIInChI=1S/C14H10F2N4O/c15-10-3-1-8(11(16)6-10)5-13-19-14(21-20-13)9-2-4-12(17)18-7-9/h1-4,6-7H,5H2,(H2,17,18)
InChIKeyHXNNEHIHKMYFPK-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.58
Rot. Bonds3

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

5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 64559058) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID64559058
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC Name5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(Cc3ccc(F)cc3F)no2)cn1
InChIInChI=1S/C14H10F2N4O/c15-10-3-1-8(11(16)6-10)5-13-19-14(21-20-13)9-2-4-12(17)18-7-9/h1-4,6-7H,5H2,(H2,17,18)
InChIKeyHXNNEHIHKMYFPK-UHFFFAOYSA-N
XLogP2.58
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 64559058) is 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ccc(-c2nc(Cc3ccc(F)cc3F)no2)cn1.
What is the InChIKey of 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is HXNNEHIHKMYFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c15-10-3-1-8(11(16)6-10)5-13-19-14(21-20-13)9-2-4-12(17)18-7-9/h1-4,6-7H,5H2,(H2,17,18).
What are the key properties of 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 288.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 64559058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).