5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

C15H13FN4O — CID 71980373

IUPAC5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3(c4ccccc4F)CC3)n2)cn1
InChIInChI=1S/C15H13FN4O/c1-20-9-10(8-17-20)13-18-14(21-19-13)15(6-7-15)11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3
InChIKeyNLCQVPHDHRRNEX-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.69
Rot. Bonds3

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

5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 71980373) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID71980373
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3(c4ccccc4F)CC3)n2)cn1
InChIInChI=1S/C15H13FN4O/c1-20-9-10(8-17-20)13-18-14(21-19-13)15(6-7-15)11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3
InChIKeyNLCQVPHDHRRNEX-UHFFFAOYSA-N
XLogP2.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (CID 71980373) is 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C3(c4ccccc4F)CC3)n2)cn1.
What is the InChIKey of 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is NLCQVPHDHRRNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-20-9-10(8-17-20)13-18-14(21-19-13)15(6-7-15)11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 284.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71980373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).