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

C18H17N5O — CID 42637282

IUPAC[5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(CCc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C18H17N5O/c19-12-16-20-18(24-22-16)17-14-8-4-5-9-15(14)23(21-17)11-10-13-6-2-1-3-7-13/h1-9H,10-12,19H2
InChIKeyZXTLABBYSGWDFY-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.79
Rot. Bonds5

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

[5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637282) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is [5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637282
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name[5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(CCc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C18H17N5O/c19-12-16-20-18(24-22-16)17-14-8-4-5-9-15(14)23(21-17)11-10-13-6-2-1-3-7-13/h1-9H,10-12,19H2
InChIKeyZXTLABBYSGWDFY-UHFFFAOYSA-N
XLogP2.79
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637282) is [5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2nn(CCc3ccccc3)c3ccccc23)n1.
What is the InChIKey of [5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is ZXTLABBYSGWDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-12-16-20-18(24-22-16)17-14-8-4-5-9-15(14)23(21-17)11-10-13-6-2-1-3-7-13/h1-9H,10-12,19H2.
What are the key properties of [5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 319.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).