3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole

C16H26N4O — CID 99799190

IUPAC3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCCc1c(-c2nc(C(C)(C)C)no2)cnn1C(CC)CC
InChIInChI=1S/C16H26N4O/c1-7-11(8-2)20-13(9-3)12(10-17-20)14-18-15(19-21-14)16(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyFKNFNHAJAYLUSD-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.15
Rot. Bonds5

About 3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole

3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 99799190) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID99799190
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCCc1c(-c2nc(C(C)(C)C)no2)cnn1C(CC)CC
InChIInChI=1S/C16H26N4O/c1-7-11(8-2)20-13(9-3)12(10-17-20)14-18-15(19-21-14)16(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyFKNFNHAJAYLUSD-UHFFFAOYSA-N
XLogP4.15
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 128517414
CID 128517414
CID 137955468
CID 137955468
CID 137956006
CID 137956006
CID 137993762
CID 137993762
CID 138020835
CID 138020835
CID 155681856
CID 155681856
CID 128989156
CID 128989156
CID 128998667
CID 128998667
CID 129483160
CID 129483160
CID 129485997
CID 129485997
CID 129491807
CID 129491807
CID 126837634
CID 126837634

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole (CID 99799190) is 3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole is CCc1c(-c2nc(C(C)(C)C)no2)cnn1C(CC)CC.
What is the InChIKey of 3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is FKNFNHAJAYLUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-7-11(8-2)20-13(9-3)12(10-17-20)14-18-15(19-21-14)16(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole?
3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 290.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 99799190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).