5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine

C17H14N4O — CID 25165278

IUPAC5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3cc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C17H14N4O/c18-17-14-9-12(6-7-15(14)19-20-17)16-10-13(21-22-16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H3,18,19,20)
InChIKeyXFHCSNRQFQRLHZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.39
Rot. Bonds3

About 5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine

5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine (PubChem CID 25165278) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine
PubChem CID25165278
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3cc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C17H14N4O/c18-17-14-9-12(6-7-15(14)19-20-17)16-10-13(21-22-16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H3,18,19,20)
InChIKeyXFHCSNRQFQRLHZ-UHFFFAOYSA-N
XLogP3.39
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine?
The IUPAC name of 5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine (CID 25165278) is 5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine?
The canonical SMILES for 5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3cc(Cc4ccccc4)no3)cc12.
What is the InChIKey of 5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine?
The InChIKey is XFHCSNRQFQRLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-17-14-9-12(6-7-15(14)19-20-17)16-10-13(21-22-16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H3,18,19,20).
What are the key properties of 5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine?
5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine has a molecular weight of 290.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzyl-1,2-oxazol-5-yl)-1H-indazol-3-amine is sourced from PubChem (CID 25165278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).