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

C16H11Cl2N5O — CID 25121180

IUPACN-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESClc1cccc(Cc2nnc(Nc3ccc4n[nH]c(Cl)c4c3)o2)c1
InChIInChI=1S/C16H11Cl2N5O/c17-10-3-1-2-9(6-10)7-14-21-23-16(24-14)19-11-4-5-13-12(8-11)15(18)22-20-13/h1-6,8H,7H2,(H,19,23)(H,20,22)
InChIKeyQMOFASPQAUJVSX-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.59
Rot. Bonds4

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

N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 25121180) has the molecular formula C16H11Cl2N5O and a molecular weight of 360.20 g/mol. Its IUPAC name is N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID25121180
Molecular FormulaC16H11Cl2N5O
Molecular Weight360.20 g/mol
Exact Mass359.03
IUPAC NameN-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESClc1cccc(Cc2nnc(Nc3ccc4n[nH]c(Cl)c4c3)o2)c1
InChIInChI=1S/C16H11Cl2N5O/c17-10-3-1-2-9(6-10)7-14-21-23-16(24-14)19-11-4-5-13-12(8-11)15(18)22-20-13/h1-6,8H,7H2,(H,19,23)(H,20,22)
InChIKeyQMOFASPQAUJVSX-UHFFFAOYSA-N
XLogP4.59
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 25121180) is N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine is Clc1cccc(Cc2nnc(Nc3ccc4n[nH]c(Cl)c4c3)o2)c1.
What is the InChIKey of N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QMOFASPQAUJVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O/c17-10-3-1-2-9(6-10)7-14-21-23-16(24-14)19-11-4-5-13-12(8-11)15(18)22-20-13/h1-6,8H,7H2,(H,19,23)(H,20,22).
What are the key properties of N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 360.20 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2H-indazol-5-yl)-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25121180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).