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

C17H12Cl2FN5O — CID 25109070

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(-c2cc(Cl)c3[nH]ncc3c2)o1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H12Cl2FN5O/c1-8(9-2-3-14(20)12(18)5-9)22-17-25-24-16(26-17)10-4-11-7-21-23-15(11)13(19)6-10/h2-8H,1H3,(H,21,23)(H,22,25)
InChIKeyXGLDQKVOUGYISV-UHFFFAOYSA-N
MW392.22 g/mol
LogP5.23
Rot. Bonds4

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

N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 25109070) has the molecular formula C17H12Cl2FN5O and a molecular weight of 392.22 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
PubChem CID25109070
Molecular FormulaC17H12Cl2FN5O
Molecular Weight392.22 g/mol
Exact Mass391.04
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(-c2cc(Cl)c3[nH]ncc3c2)o1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H12Cl2FN5O/c1-8(9-2-3-14(20)12(18)5-9)22-17-25-24-16(26-17)10-4-11-7-21-23-15(11)13(19)6-10/h2-8H,1H3,(H,21,23)(H,22,25)
InChIKeyXGLDQKVOUGYISV-UHFFFAOYSA-N
XLogP5.23
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.22
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine (CID 25109070) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine is CC(Nc1nnc(-c2cc(Cl)c3[nH]ncc3c2)o1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XGLDQKVOUGYISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN5O/c1-8(9-2-3-14(20)12(18)5-9)22-17-25-24-16(26-17)10-4-11-7-21-23-15(11)13(19)6-10/h2-8H,1H3,(H,21,23)(H,22,25).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 392.22 g/mol, XLogP of 5.23, 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-(7-chloro-1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25109070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).