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

C17H13F2N5O — CID 25109137

IUPAC5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(-c2ccc3[nH]ncc3c2F)o1)c1cccc(F)c1
InChIInChI=1S/C17H13F2N5O/c1-9(10-3-2-4-11(18)7-10)21-17-24-23-16(25-17)12-5-6-14-13(15(12)19)8-20-22-14/h2-9H,1H3,(H,20,22)(H,21,24)/t9-/m1/s1
InChIKeyHUJUYBDMBLINQV-SECBINFHSA-N
MW341.32 g/mol
LogP4.06
Rot. Bonds4

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

5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 25109137) has the molecular formula C17H13F2N5O and a molecular weight of 341.32 g/mol. Its IUPAC name is 5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID25109137
Molecular FormulaC17H13F2N5O
Molecular Weight341.32 g/mol
Exact Mass341.11
IUPAC Name5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(-c2ccc3[nH]ncc3c2F)o1)c1cccc(F)c1
InChIInChI=1S/C17H13F2N5O/c1-9(10-3-2-4-11(18)7-10)21-17-24-23-16(25-17)12-5-6-14-13(15(12)19)8-20-22-14/h2-9H,1H3,(H,20,22)(H,21,24)/t9-/m1/s1
InChIKeyHUJUYBDMBLINQV-SECBINFHSA-N
XLogP4.06
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 54.06
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-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 25109137) is 5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is C[C@@H](Nc1nnc(-c2ccc3[nH]ncc3c2F)o1)c1cccc(F)c1.
What is the InChIKey of 5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is HUJUYBDMBLINQV-SECBINFHSA-N. The full InChI is InChI=1S/C17H13F2N5O/c1-9(10-3-2-4-11(18)7-10)21-17-24-23-16(25-17)12-5-6-14-13(15(12)19)8-20-22-14/h2-9H,1H3,(H,20,22)(H,21,24)/t9-/m1/s1.
What are the key properties of 5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(4-fluoro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 341.32 g/mol, XLogP of 4.06, 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-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25109137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).