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

C12H12N4O2 — CID 94069279

IUPAC5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2cc(-c3ccco3)n[nH]2)n1
InChIInChI=1S/C12H12N4O2/c1-7(2)11-13-12(18-16-11)9-6-8(14-15-9)10-4-3-5-17-10/h3-7H,1-2H3,(H,14,15)
InChIKeyAPGGNDOSHVKLHQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.84
Rot. Bonds3

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

5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 94069279) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID94069279
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2cc(-c3ccco3)n[nH]2)n1
InChIInChI=1S/C12H12N4O2/c1-7(2)11-13-12(18-16-11)9-6-8(14-15-9)10-4-3-5-17-10/h3-7H,1-2H3,(H,14,15)
InChIKeyAPGGNDOSHVKLHQ-UHFFFAOYSA-N
XLogP2.84
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069276
3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 146132936
1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078718
6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952634
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 29041458
5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
CID 51589117
[3-(furan-2-yl)-1H-pyrazol-5-yl]methanamine;hydrochloride
CID 166403130
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 136740797
7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole
CID 82095609
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one
CID 53331230
3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 167964392

Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 94069279) is 5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(-c2cc(-c3ccco3)n[nH]2)n1.
What is the InChIKey of 5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is APGGNDOSHVKLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7(2)11-13-12(18-16-11)9-6-8(14-15-9)10-4-3-5-17-10/h3-7H,1-2H3,(H,14,15).
What are the key properties of 5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 244.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 94069279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).