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

C17H14ClFN6O — CID 25108871

IUPAC5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(-c2ccc3[nH]nc(N)c3c2)o1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN6O/c1-8(9-2-4-13(19)12(18)7-9)21-17-25-24-16(26-17)10-3-5-14-11(6-10)15(20)23-22-14/h2-8H,1H3,(H,21,25)(H3,20,22,23)/t8-/m1/s1
InChIKeyCGJSGVLJNZYIFT-MRVPVSSYSA-N
MW372.79 g/mol
LogP4.16
Rot. Bonds4

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

5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 25108871) has the molecular formula C17H14ClFN6O and a molecular weight of 372.79 g/mol. Its IUPAC name is 5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID25108871
Molecular FormulaC17H14ClFN6O
Molecular Weight372.79 g/mol
Exact Mass372.09
IUPAC Name5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(-c2ccc3[nH]nc(N)c3c2)o1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN6O/c1-8(9-2-4-13(19)12(18)7-9)21-17-25-24-16(26-17)10-3-5-14-11(6-10)15(20)23-22-14/h2-8H,1H3,(H,21,25)(H3,20,22,23)/t8-/m1/s1
InChIKeyCGJSGVLJNZYIFT-MRVPVSSYSA-N
XLogP4.16
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 25108871) is 5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is C[C@@H](Nc1nnc(-c2ccc3[nH]nc(N)c3c2)o1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CGJSGVLJNZYIFT-MRVPVSSYSA-N. The full InChI is InChI=1S/C17H14ClFN6O/c1-8(9-2-4-13(19)12(18)7-9)21-17-25-24-16(26-17)10-3-5-14-11(6-10)15(20)23-22-14/h2-8H,1H3,(H,21,25)(H3,20,22,23)/t8-/m1/s1.
What are the key properties of 5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 372.79 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25108871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).