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

C18H17N5O2 — CID 42637131

IUPAC[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc1
InChIInChI=1S/C18H17N5O2/c1-24-13-8-6-12(7-9-13)11-23-15-5-3-2-4-14(15)17(21-23)18-20-16(10-19)22-25-18/h2-9H,10-11,19H2,1H3
InChIKeyVOLKFBYSCUDNBJ-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.60
Rot. Bonds5

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

[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637131) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637131
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc1
InChIInChI=1S/C18H17N5O2/c1-24-13-8-6-12(7-9-13)11-23-15-5-3-2-4-14(15)17(21-23)18-20-16(10-19)22-25-18/h2-9H,10-11,19H2,1H3
InChIKeyVOLKFBYSCUDNBJ-UHFFFAOYSA-N
XLogP2.60
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637131) is [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is COc1ccc(Cn2nc(-c3nc(CN)no3)c3ccccc32)cc1.
What is the InChIKey of [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is VOLKFBYSCUDNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-24-13-8-6-12(7-9-13)11-23-15-5-3-2-4-14(15)17(21-23)18-20-16(10-19)22-25-18/h2-9H,10-11,19H2,1H3.
What are the key properties of [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 335.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).