5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

C9H11N5O2 — CID 65330662

IUPAC5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(C3CCOC3)no2)[nH]n1
InChIInChI=1S/C9H11N5O2/c10-7-3-6(12-13-7)9-11-8(14-16-9)5-1-2-15-4-5/h3,5H,1-2,4H2,(H3,10,12,13)
InChIKeyAEBFEZMGCKCZFE-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.55
Rot. Bonds2

About 5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 65330662) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID65330662
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(C3CCOC3)no2)[nH]n1
InChIInChI=1S/C9H11N5O2/c10-7-3-6(12-13-7)9-11-8(14-16-9)5-1-2-15-4-5/h3,5H,1-2,4H2,(H3,10,12,13)
InChIKeyAEBFEZMGCKCZFE-UHFFFAOYSA-N
XLogP0.55
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97445003
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446214
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65329882
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 65401824
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330487
5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 129489828

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 65330662) is 5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is Nc1cc(-c2nc(C3CCOC3)no2)[nH]n1.
What is the InChIKey of 5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is AEBFEZMGCKCZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c10-7-3-6(12-13-7)9-11-8(14-16-9)5-1-2-15-4-5/h3,5H,1-2,4H2,(H3,10,12,13).
What are the key properties of 5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 221.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 65330662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).