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

C19H19N5O — CID 42637065

IUPAC[5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1cc(C)cc(Cn2nc(-c3nc(CN)no3)c3ccccc32)c1
InChIInChI=1S/C19H19N5O/c1-12-7-13(2)9-14(8-12)11-24-16-6-4-3-5-15(16)18(22-24)19-21-17(10-20)23-25-19/h3-9H,10-11,20H2,1-2H3
InChIKeyDJBOMQYKACJXOD-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.21
Rot. Bonds4

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

[5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637065) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637065
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1cc(C)cc(Cn2nc(-c3nc(CN)no3)c3ccccc32)c1
InChIInChI=1S/C19H19N5O/c1-12-7-13(2)9-14(8-12)11-24-16-6-4-3-5-15(16)18(22-24)19-21-17(10-20)23-25-19/h3-9H,10-11,20H2,1-2H3
InChIKeyDJBOMQYKACJXOD-UHFFFAOYSA-N
XLogP3.21
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637065) is [5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is Cc1cc(C)cc(Cn2nc(-c3nc(CN)no3)c3ccccc32)c1.
What is the InChIKey of [5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is DJBOMQYKACJXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12-7-13(2)9-14(8-12)11-24-16-6-4-3-5-15(16)18(22-24)19-21-17(10-20)23-25-19/h3-9H,10-11,20H2,1-2H3.
What are the key properties of [5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 333.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(3,5-dimethylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).