5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

C16H11F2N5O — CID 25109135

IUPAC5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESFc1cccc(CNc2nnc(-c3ccc4[nH]ncc4c3F)o2)c1
InChIInChI=1S/C16H11F2N5O/c17-10-3-1-2-9(6-10)7-19-16-23-22-15(24-16)11-4-5-13-12(14(11)18)8-20-21-13/h1-6,8H,7H2,(H,19,23)(H,20,21)
InChIKeyAELCBACGMYKFFK-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.50
Rot. Bonds4

About 5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 25109135) has the molecular formula C16H11F2N5O and a molecular weight of 327.29 g/mol. Its IUPAC name is 5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID25109135
Molecular FormulaC16H11F2N5O
Molecular Weight327.29 g/mol
Exact Mass327.09
IUPAC Name5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESFc1cccc(CNc2nnc(-c3ccc4[nH]ncc4c3F)o2)c1
InChIInChI=1S/C16H11F2N5O/c17-10-3-1-2-9(6-10)7-19-16-23-22-15(24-16)11-4-5-13-12(14(11)18)8-20-21-13/h1-6,8H,7H2,(H,19,23)(H,20,21)
InChIKeyAELCBACGMYKFFK-UHFFFAOYSA-N
XLogP3.50
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 25109135) is 5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is Fc1cccc(CNc2nnc(-c3ccc4[nH]ncc4c3F)o2)c1.
What is the InChIKey of 5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is AELCBACGMYKFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O/c17-10-3-1-2-9(6-10)7-19-16-23-22-15(24-16)11-4-5-13-12(14(11)18)8-20-21-13/h1-6,8H,7H2,(H,19,23)(H,20,21).
What are the key properties of 5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 327.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25109135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).