5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine

C17H13ClFN5O — CID 25109067

IUPAC5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(-c2cc(Cl)c3[nH]ncc3c2)o1)c1cccc(F)c1
InChIInChI=1S/C17H13ClFN5O/c1-9(10-3-2-4-13(19)6-10)21-17-24-23-16(25-17)11-5-12-8-20-22-15(12)14(18)7-11/h2-9H,1H3,(H,20,22)(H,21,24)/t9-/m1/s1
InChIKeyYIMYXPBEVQMQSG-SECBINFHSA-N
MW357.78 g/mol
LogP4.58
Rot. Bonds4

About 5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine

5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 25109067) has the molecular formula C17H13ClFN5O and a molecular weight of 357.78 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID25109067
Molecular FormulaC17H13ClFN5O
Molecular Weight357.78 g/mol
Exact Mass357.08
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(-c2cc(Cl)c3[nH]ncc3c2)o1)c1cccc(F)c1
InChIInChI=1S/C17H13ClFN5O/c1-9(10-3-2-4-13(19)6-10)21-17-24-23-16(25-17)11-5-12-8-20-22-15(12)14(18)7-11/h2-9H,1H3,(H,20,22)(H,21,24)/t9-/m1/s1
InChIKeyYIMYXPBEVQMQSG-SECBINFHSA-N
XLogP4.58
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.78
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 25109067) is 5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is C[C@@H](Nc1nnc(-c2cc(Cl)c3[nH]ncc3c2)o1)c1cccc(F)c1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YIMYXPBEVQMQSG-SECBINFHSA-N. The full InChI is InChI=1S/C17H13ClFN5O/c1-9(10-3-2-4-13(19)6-10)21-17-24-23-16(25-17)11-5-12-8-20-22-15(12)14(18)7-11/h2-9H,1H3,(H,20,22)(H,21,24)/t9-/m1/s1.
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 357.78 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25109067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).