methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate

C15H12N6O3 — CID 166386930

IUPACmethyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(Cn2cc(-c3ccc4cn[nH]c4c3)nn2)n1
InChIInChI=1S/C15H12N6O3/c1-23-15(22)13-8-24-14(17-13)7-21-6-12(19-20-21)9-2-3-10-5-16-18-11(10)4-9/h2-6,8H,7H2,1H3,(H,16,18)
InChIKeyYFRDHGFGEXMTNQ-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.64
Rot. Bonds4

About methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 166386930) has the molecular formula C15H12N6O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate
PubChem CID166386930
Molecular FormulaC15H12N6O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Namemethyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(Cn2cc(-c3ccc4cn[nH]c4c3)nn2)n1
InChIInChI=1S/C15H12N6O3/c1-23-15(22)13-8-24-14(17-13)7-21-6-12(19-20-21)9-2-3-10-5-16-18-11(10)4-9/h2-6,8H,7H2,1H3,(H,16,18)
InChIKeyYFRDHGFGEXMTNQ-UHFFFAOYSA-N
XLogP1.64
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate (CID 166386930) is methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(Cn2cc(-c3ccc4cn[nH]c4c3)nn2)n1.
What is the InChIKey of methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is YFRDHGFGEXMTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3/c1-23-15(22)13-8-24-14(17-13)7-21-6-12(19-20-21)9-2-3-10-5-16-18-11(10)4-9/h2-6,8H,7H2,1H3,(H,16,18).
What are the key properties of methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 324.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 166386930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).