5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine

C16H14N6O — CID 25109769

IUPAC5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine
SMILESNc1n[nH]c2ccc(-c3nnc(NCc4ccccc4)o3)cc12
InChIInChI=1S/C16H14N6O/c17-14-12-8-11(6-7-13(12)19-20-14)15-21-22-16(23-15)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,22)(H3,17,19,20)
InChIKeyAUIUHHYHJAGFBH-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.81
Rot. Bonds4

About 5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine

5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine (PubChem CID 25109769) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine
PubChem CID25109769
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine
SMILESNc1n[nH]c2ccc(-c3nnc(NCc4ccccc4)o3)cc12
InChIInChI=1S/C16H14N6O/c17-14-12-8-11(6-7-13(12)19-20-14)15-21-22-16(23-15)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,22)(H3,17,19,20)
InChIKeyAUIUHHYHJAGFBH-UHFFFAOYSA-N
XLogP2.81
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine (CID 25109769) is 5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine is Nc1n[nH]c2ccc(-c3nnc(NCc4ccccc4)o3)cc12.
What is the InChIKey of 5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine?
The InChIKey is AUIUHHYHJAGFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-14-12-8-11(6-7-13(12)19-20-14)15-21-22-16(23-15)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,22)(H3,17,19,20).
What are the key properties of 5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine?
5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine has a molecular weight of 306.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25109769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).