3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole

C15H18N6O — CID 39804568

IUPAC3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole
SMILESCn1cnc(-c2noc(CCc3n[nH]c4c3CCCC4)n2)c1
InChIInChI=1S/C15H18N6O/c1-21-8-13(16-9-21)15-17-14(22-20-15)7-6-12-10-4-2-3-5-11(10)18-19-12/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyWOOWXTSFEKSVJB-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.86
Rot. Bonds4

About 3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole

3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 39804568) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole
PubChem CID39804568
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole
SMILESCn1cnc(-c2noc(CCc3n[nH]c4c3CCCC4)n2)c1
InChIInChI=1S/C15H18N6O/c1-21-8-13(16-9-21)15-17-14(22-20-15)7-6-12-10-4-2-3-5-11(10)18-19-12/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyWOOWXTSFEKSVJB-UHFFFAOYSA-N
XLogP1.86
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole (CID 39804568) is 3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole is Cn1cnc(-c2noc(CCc3n[nH]c4c3CCCC4)n2)c1.
What is the InChIKey of 3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is WOOWXTSFEKSVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-21-8-13(16-9-21)15-17-14(22-20-15)7-6-12-10-4-2-3-5-11(10)18-19-12/h8-9H,2-7H2,1H3,(H,18,19).
What are the key properties of 3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole?
3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 298.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 39804568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).