1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol

C14H16N4O2 — CID 103119680

IUPAC1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2nn(C)c3ccccc23)n1
InChIInChI=1S/C14H16N4O2/c1-3-6-11(19)13-15-14(20-17-13)12-9-7-4-5-8-10(9)18(2)16-12/h4-5,7-8,11,19H,3,6H2,1-2H3
InChIKeyIRYSNJRTMHSCHV-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.46
Rot. Bonds4

About 1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol

1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 103119680) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID103119680
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2nn(C)c3ccccc23)n1
InChIInChI=1S/C14H16N4O2/c1-3-6-11(19)13-15-14(20-17-13)12-9-7-4-5-8-10(9)18(2)16-12/h4-5,7-8,11,19H,3,6H2,1-2H3
InChIKeyIRYSNJRTMHSCHV-UHFFFAOYSA-N
XLogP2.46
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of 1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 103119680) is 1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is CCCC(O)c1noc(-c2nn(C)c3ccccc23)n1.
What is the InChIKey of 1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is IRYSNJRTMHSCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-6-11(19)13-15-14(20-17-13)12-9-7-4-5-8-10(9)18(2)16-12/h4-5,7-8,11,19H,3,6H2,1-2H3.
What are the key properties of 1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol has a molecular weight of 272.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 103119680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).