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

C17H13ClFN5O — CID 25108936

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(-c2ccc3[nH]ncc3c2)o1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClFN5O/c1-9(10-2-4-14(19)13(18)7-10)21-17-24-23-16(25-17)11-3-5-15-12(6-11)8-20-22-15/h2-9H,1H3,(H,20,22)(H,21,24)
InChIKeyNFYQYARJLZSDDH-UHFFFAOYSA-N
MW357.78 g/mol
LogP4.58
Rot. Bonds4

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

N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 25108936) has the molecular formula C17H13ClFN5O and a molecular weight of 357.78 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
PubChem CID25108936
Molecular FormulaC17H13ClFN5O
Molecular Weight357.78 g/mol
Exact Mass357.08
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(-c2ccc3[nH]ncc3c2)o1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClFN5O/c1-9(10-2-4-14(19)13(18)7-10)21-17-24-23-16(25-17)11-3-5-15-12(6-11)8-20-22-15/h2-9H,1H3,(H,20,22)(H,21,24)
InChIKeyNFYQYARJLZSDDH-UHFFFAOYSA-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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Related Compounds

N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 25108998
5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine
CID 25109769
5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 25108871
5-(3-amino-1H-indazol-5-yl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 25108932
N-[(1R)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 25108937
5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 25109000
N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 25109065
5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 25109067
5-(7-chloro-1H-indazol-5-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 25109068
N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 25109070
5-(4-fluoro-1H-indazol-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 25109135
5-(4-fluoro-1H-indazol-5-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 25109136

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine (CID 25108936) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine is CC(Nc1nnc(-c2ccc3[nH]ncc3c2)o1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NFYQYARJLZSDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5O/c1-9(10-2-4-14(19)13(18)7-10)21-17-24-23-16(25-17)11-3-5-15-12(6-11)8-20-22-15/h2-9H,1H3,(H,20,22)(H,21,24).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-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 N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25108936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).