2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole

C11H16N4O — CID 170382959

IUPAC2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
SMILESCCCC(CC)c1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C11H16N4O/c1-3-5-8(4-2)10-14-15-11(16-10)9-6-7-12-13-9/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyOTVSFTLDYNGMFM-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.75
Rot. Bonds5

About 2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole

2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole (PubChem CID 170382959) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
PubChem CID170382959
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
SMILESCCCC(CC)c1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C11H16N4O/c1-3-5-8(4-2)10-14-15-11(16-10)9-6-7-12-13-9/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyOTVSFTLDYNGMFM-UHFFFAOYSA-N
XLogP2.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole (CID 170382959) is 2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole is CCCC(CC)c1nnc(-c2ccn[nH]2)o1.
What is the InChIKey of 2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is OTVSFTLDYNGMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-5-8(4-2)10-14-15-11(16-10)9-6-7-12-13-9/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 220.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 170382959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).