5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole

C13H12N4O — CID 19324384

IUPAC5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCCn1nccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C13H12N4O/c1-2-17-11(8-9-14-17)13-15-12(16-18-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyFFYDTIYUGZVPKU-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.62
Rot. Bonds3

About 5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole

5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 19324384) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID19324384
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCCn1nccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C13H12N4O/c1-2-17-11(8-9-14-17)13-15-12(16-18-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyFFYDTIYUGZVPKU-UHFFFAOYSA-N
XLogP2.62
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138557
3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53138563
5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324429
N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53043089
N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53138548
5-(2-ethylpyrazol-3-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
CID 100618540
4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 62920467
5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 71689313
3,5-bis[4-(10-ethylphenazin-5-yl)phenyl]-1,2,4-oxadiazole
CID 121244988
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 23613814
5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326416

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole (CID 19324384) is 5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole is CCn1nccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FFYDTIYUGZVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-17-11(8-9-14-17)13-15-12(16-18-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole?
5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 240.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19324384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).