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

C18H17N5O — CID 42637062

IUPAC[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1cccc(Cn2nc(-c3nc(CN)no3)c3ccccc32)c1
InChIInChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)11-23-15-8-3-2-7-14(15)17(21-23)18-20-16(10-19)22-24-18/h2-9H,10-11,19H2,1H3
InChIKeyBNMKCPCRZMOAKU-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.90
Rot. Bonds4

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

[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637062) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637062
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1cccc(Cn2nc(-c3nc(CN)no3)c3ccccc32)c1
InChIInChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)11-23-15-8-3-2-7-14(15)17(21-23)18-20-16(10-19)22-24-18/h2-9H,10-11,19H2,1H3
InChIKeyBNMKCPCRZMOAKU-UHFFFAOYSA-N
XLogP2.90
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 42637062) is [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is Cc1cccc(Cn2nc(-c3nc(CN)no3)c3ccccc32)c1.
What is the InChIKey of [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is BNMKCPCRZMOAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)11-23-15-8-3-2-7-14(15)17(21-23)18-20-16(10-19)22-24-18/h2-9H,10-11,19H2,1H3.
What are the key properties of [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 319.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).