1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol

C14H14N4O2S — CID 139011853

IUPAC1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol
SMILESOC1CCc2cnn(Cc3noc(-c4cccs4)n3)c2C1
InChIInChI=1S/C14H14N4O2S/c19-10-4-3-9-7-15-18(11(9)6-10)8-13-16-14(20-17-13)12-2-1-5-21-12/h1-2,5,7,10,19H,3-4,6,8H2
InChIKeyHIMWZUSCGXZNDK-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.89
Rot. Bonds3

About 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol

1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol (PubChem CID 139011853) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol.

Molecular Properties

Compound Name1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol
PubChem CID139011853
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol
SMILESOC1CCc2cnn(Cc3noc(-c4cccs4)n3)c2C1
InChIInChI=1S/C14H14N4O2S/c19-10-4-3-9-7-15-18(11(9)6-10)8-13-16-14(20-17-13)12-2-1-5-21-12/h1-2,5,7,10,19H,3-4,6,8H2
InChIKeyHIMWZUSCGXZNDK-UHFFFAOYSA-N
XLogP1.89
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol?
The IUPAC name of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol (CID 139011853) is 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol.
What is the SMILES notation for 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol?
The canonical SMILES for 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol is OC1CCc2cnn(Cc3noc(-c4cccs4)n3)c2C1.
What is the InChIKey of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol?
The InChIKey is HIMWZUSCGXZNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-10-4-3-9-7-15-18(11(9)6-10)8-13-16-14(20-17-13)12-2-1-5-21-12/h1-2,5,7,10,19H,3-4,6,8H2.
What are the key properties of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol?
1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol has a molecular weight of 302.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol is sourced from PubChem (CID 139011853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).