5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine

C12H12N4O — CID 44570388

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine
SMILESCc1noc(C)c1-c1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C12H12N4O/c1-6-11(7(2)17-16-6)8-3-4-10-9(5-8)12(13)15-14-10/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyVNVOFPOBSPJSAR-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.42
Rot. Bonds1

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine (PubChem CID 44570388) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine
PubChem CID44570388
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine
SMILESCc1noc(C)c1-c1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C12H12N4O/c1-6-11(7(2)17-16-6)8-3-4-10-9(5-8)12(13)15-14-10/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyVNVOFPOBSPJSAR-UHFFFAOYSA-N
XLogP2.42
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine (CID 44570388) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine is Cc1noc(C)c1-c1ccc2[nH]nc(N)c2c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine?
The InChIKey is VNVOFPOBSPJSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-6-11(7(2)17-16-6)8-3-4-10-9(5-8)12(13)15-14-10/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine has a molecular weight of 228.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 44570388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).