[5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine

C21H17N5O — CID 42637067

IUPAC[5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3ccc4ccccc4c3)c3ccccc23)n1
InChIInChI=1S/C21H17N5O/c22-12-19-23-21(27-25-19)20-17-7-3-4-8-18(17)26(24-20)13-14-9-10-15-5-1-2-6-16(15)11-14/h1-11H,12-13,22H2
InChIKeyQAQZYBKLPZGING-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.75
Rot. Bonds4

About [5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine

[5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637067) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is [5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637067
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name[5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3ccc4ccccc4c3)c3ccccc23)n1
InChIInChI=1S/C21H17N5O/c22-12-19-23-21(27-25-19)20-17-7-3-4-8-18(17)26(24-20)13-14-9-10-15-5-1-2-6-16(15)11-14/h1-11H,12-13,22H2
InChIKeyQAQZYBKLPZGING-UHFFFAOYSA-N
XLogP3.75
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637067) is [5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2nn(Cc3ccc4ccccc4c3)c3ccccc23)n1.
What is the InChIKey of [5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is QAQZYBKLPZGING-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c22-12-19-23-21(27-25-19)20-17-7-3-4-8-18(17)26(24-20)13-14-9-10-15-5-1-2-6-16(15)11-14/h1-11H,12-13,22H2.
What are the key properties of [5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 355.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).