5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C16H15FN4O — CID 19326439

IUPAC5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCn1ncc(/C=C/c2nc(-c3ccc(F)cc3)no2)c1C
InChIInChI=1S/C16H15FN4O/c1-3-21-11(2)13(10-18-21)6-9-15-19-16(20-22-15)12-4-7-14(17)8-5-12/h4-10H,3H2,1-2H3/b9-6+
InChIKeyXROYYRVBOFUISG-RMKNXTFCSA-N
MW298.32 g/mol
LogP3.57
Rot. Bonds4

About 5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 19326439) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID19326439
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCn1ncc(/C=C/c2nc(-c3ccc(F)cc3)no2)c1C
InChIInChI=1S/C16H15FN4O/c1-3-21-11(2)13(10-18-21)6-9-15-19-16(20-22-15)12-4-7-14(17)8-5-12/h4-10H,3H2,1-2H3/b9-6+
InChIKeyXROYYRVBOFUISG-RMKNXTFCSA-N
XLogP3.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
CID 19326193
3-(4-fluorophenyl)-4-[(Z)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-1,2,4-oxadiazol-5-one
CID 146591742
N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 171131079
3-(4-fluorophenyl)-5-[2-(4-iodo-5-methylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 19326319
3-(4-fluorophenyl)-5-[2-(5-methyl-4-nitropyrazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 19326294
5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326343
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
(4-ethylpiperazin-1-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 50828587
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine
CID 79542695
3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
CID 167991639
3-(4-fluorophenyl)-5-(5-methyl-2H-triazol-4-yl)-1,2,4-oxadiazole
CID 19326362
5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79535777

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 19326439) is 5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is CCn1ncc(/C=C/c2nc(-c3ccc(F)cc3)no2)c1C.
What is the InChIKey of 5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is XROYYRVBOFUISG-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-3-21-11(2)13(10-18-21)6-9-15-19-16(20-22-15)12-4-7-14(17)8-5-12/h4-10H,3H2,1-2H3/b9-6+.
What are the key properties of 5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 298.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(1-ethyl-5-methylpyrazol-4-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).