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

C8H10N4O — CID 169163461

IUPAC2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C8H10N4O/c1-5(2)7-11-12-8(13-7)6-3-4-9-10-6/h3-5H,1-2H3,(H,9,10)
InChIKeyMRBICDQLSWTNPA-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.58
Rot. Bonds2

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

2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole (PubChem CID 169163461) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
PubChem CID169163461
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C8H10N4O/c1-5(2)7-11-12-8(13-7)6-3-4-9-10-6/h3-5H,1-2H3,(H,9,10)
InChIKeyMRBICDQLSWTNPA-UHFFFAOYSA-N
XLogP1.58
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole (CID 169163461) is 2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole is CC(C)c1nnc(-c2ccn[nH]2)o1.
What is the InChIKey of 2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is MRBICDQLSWTNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5(2)7-11-12-8(13-7)6-3-4-9-10-6/h3-5H,1-2H3,(H,9,10).
What are the key properties of 2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 178.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 169163461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).