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

C17H13F2N5O2 — CID 25109136

IUPAC5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(CNc2nnc(-c3ccc4[nH]ncc4c3F)o2)ccc1F
InChIInChI=1S/C17H13F2N5O2/c1-25-14-6-9(2-4-12(14)18)7-20-17-24-23-16(26-17)10-3-5-13-11(15(10)19)8-21-22-13/h2-6,8H,7H2,1H3,(H,20,24)(H,21,22)
InChIKeyWLIVMTSGHPGNLM-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.51
Rot. Bonds5

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

5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 25109136) has the molecular formula C17H13F2N5O2 and a molecular weight of 357.32 g/mol. Its IUPAC name is 5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID25109136
Molecular FormulaC17H13F2N5O2
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(CNc2nnc(-c3ccc4[nH]ncc4c3F)o2)ccc1F
InChIInChI=1S/C17H13F2N5O2/c1-25-14-6-9(2-4-12(14)18)7-20-17-24-23-16(26-17)10-3-5-13-11(15(10)19)8-21-22-13/h2-6,8H,7H2,1H3,(H,20,24)(H,21,22)
InChIKeyWLIVMTSGHPGNLM-UHFFFAOYSA-N
XLogP3.51
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 25109136) is 5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine is COc1cc(CNc2nnc(-c3ccc4[nH]ncc4c3F)o2)ccc1F.
What is the InChIKey of 5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WLIVMTSGHPGNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2/c1-25-14-6-9(2-4-12(14)18)7-20-17-24-23-16(26-17)10-3-5-13-11(15(10)19)8-21-22-13/h2-6,8H,7H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 357.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25109136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).